4-(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)amino]-2-sulfanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 4-(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)amino]-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 4-(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)amino]-2-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 4-(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)amino]-2-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)amino]-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 6-[(5,6-diphenyl-1,2,4-triazin-3-yl)amino]-4-(4-keto-3,5-dimethoxy-cyclohexa-2,5-dien-1-ylidene)-2-thioxo-1H-pyrimidine-5-carbonitrile Formula: C28H21N7O3S MolecularWeight: 535.57644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C(NC(=S)N2)NC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N)C=C(C1=O)OC

Isomeric SMILES

COC1=CC(=C2C(=C(NC(=S)N2)NC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N)C=C(C1=O)OC

InChI

InChI=1S/C28H21N7O3S/c1-37-20-13-18(14-21(38-2)25(20)36)22-19(15-29)26(33-28(39)31-22)32-27-30-23(16-9-5-3-6-10-16)24(34-35-27)17-11-7-4-8-12-17/h3-14H,1-2H3,(H,30,32,35)(H2,31,33,39)