2-[[3-[(E)-[1-(2,4-dimethylphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[3-[(E)-[1-(2,4-dimethylphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[3-[(E)-[1-(2,4-dimethylphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]indol-1-yl]methyl]benzonitrile CAS Name: 2-[[3-[(E)-[1-(2,4-dimethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-1-indolyl]methyl]benzonitrile IUPAC Name: 2-[[3-[(E)-[1-(2,4-dimethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]benzonitrile Traditional Name: 2-[[3-[(E)-[1-(2,4-dimethylphenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]indol-1-yl]methyl]benzonitrile Formula: C29H22N4O2S MolecularWeight: 490.57558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5C#N)C(=O)NC2=S)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5C#N)/C(=O)NC2=S)C

InChI

InChI=1S/C29H22N4O2S/c1-18-11-12-25(19(2)13-18)33-28(35)24(27(34)31-29(33)36)14-22-17-32(26-10-6-5-9-23(22)26)16-21-8-4-3-7-20(21)15-30/h3-14,17H,16H2,1-2H3,(H,31,34,36)/b24-14+