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

Systemtic Name: 2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-(4-methylphenyl)propanenitrile Openeye Name: 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-(p-tolyl)propanenitrile CAS Name: 2-[(1-cyclopentyl-5-tetrazolyl)thio]-3-(4-methylphenyl)propanenitrile IUPAC Name: 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-(4-methylphenyl)propanenitrile Traditional Name: 2-[(1-cyclopentyltetrazol-5-yl)thio]-3-(p-tolyl)propionitrile Formula: C16H19N5S MolecularWeight: 313.42056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NN=NN2C3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CC(C#N)SC2=NN=NN2C3CCCC3

InChI

InChI=1S/C16H19N5S/c1-12-6-8-13(9-7-12)10-15(11-17)22-16-18-19-20-21(16)14-4-2-3-5-14/h6-9,14-15H,2-5,10H2,1H3