2-[4-[[4-(3-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[[4-(3-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[4-(m-tolyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[4-(3-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[4-(3-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[4-(m-tolyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]isonicotinonitrile Formula: C26H25N7S MolecularWeight: 467.5886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC(=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC(=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C26H25N7S/c1-20-6-5-9-23(16-20)33-25(22-7-3-2-4-8-22)29-32(26(33)34)19-30-12-14-31(15-13-30)24-17-21(18-27)10-11-28-24/h2-11,16-17H,12-15,19H2,1H3