6-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile

Systemtic Name: 6-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Openeye Name: 6-[[4-(m-tolyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile CAS Name: 6-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Traditional Name: 6-[[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=NC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SC3=NC=C(C=C3)C#N)C4=CC=CC=C4

InChI

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