2-[[4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 2-[[4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[5-benzyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[5-benzyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[5-benzyl-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C19H18N4S MolecularWeight: 334.43802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SC(C)C#N)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SC(C)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C19H18N4S/c1-14-7-6-10-17(11-14)23-18(12-16-8-4-3-5-9-16)21-22-19(23)24-15(2)13-20/h3-11,15H,12H2,1-2H3