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

Systemtic Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-(4-methylphenyl)propanenitrile Openeye Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-(p-tolyl)propanenitrile CAS Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]-3-(4-methylphenyl)propanenitrile IUPAC Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-(4-methylphenyl)propanenitrile Traditional Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]-3-(p-tolyl)propionitrile Formula: C18H22N4S MolecularWeight: 326.45908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NNC(=N2)CC3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CC(C#N)SC2=NNC(=N2)CC3CCCC3

InChI

InChI=1S/C18H22N4S/c1-13-6-8-15(9-7-13)10-16(12-19)23-18-20-17(21-22-18)11-14-4-2-3-5-14/h6-9,14,16H,2-5,10-11H2,1H3,(H,20,21,22)