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

Systemtic Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-methylphenyl)propanenitrile Openeye Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(p-tolyl)propanenitrile CAS Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-3-(4-methylphenyl)propanenitrile IUPAC Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-methylphenyl)propanenitrile Traditional Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-3-(p-tolyl)propionitrile Formula: C17H20N4S MolecularWeight: 312.4325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NNC(=N2)C3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CC(C#N)SC2=NNC(=N2)C3CCCC3

InChI

InChI=1S/C17H20N4S/c1-12-6-8-13(9-7-12)10-15(11-18)22-17-19-16(20-21-17)14-4-2-3-5-14/h6-9,14-15H,2-5,10H2,1H3,(H,19,20,21)