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

Systemtic Name: 3-(4-methylphenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(p-tolyl)propanenitrile CAS Name: 3-(4-methylphenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: 3-(4-methylphenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]-3-(p-tolyl)propionitrile Formula: C15H18N4S MolecularWeight: 286.39522

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC(CC2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCCC1=NC(=NN1)SC(CC2=CC=C(C=C2)C)C#N

InChI

InChI=1S/C15H18N4S/c1-3-4-14-17-15(19-18-14)20-13(10-16)9-12-7-5-11(2)6-8-12/h5-8,13H,3-4,9H2,1-2H3,(H,17,18,19)