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

Systemtic Name: 2-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Openeye Name: 2-[[4-(m-tolyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile CAS Name: 2-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 2-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[[4-(m-tolyl)-5-phenyl-1,2,4-triazol-3-yl]thio]nicotinonitrile Formula: C21H15N5S MolecularWeight: 369.4423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SC3=C(C=CC=N3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SC3=C(C=CC=N3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C21H15N5S/c1-15-7-5-11-18(13-15)26-19(16-8-3-2-4-9-16)24-25-21(26)27-20-17(14-22)10-6-12-23-20/h2-13H,1H3