2-[[5-cyclohexyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-cyclohexyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[(4-benzyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile CAS Name: 2-[[5-cyclohexyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[(4-benzyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[(4-benzyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetonitrile Formula: C17H20N4S MolecularWeight: 312.4325

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2CC3=CC=CC=C3)SCC#N

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2CC3=CC=CC=C3)SCC#N

InChI

InChI=1S/C17H20N4S/c18-11-12-22-17-20-19-16(15-9-5-2-6-10-15)21(17)13-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-10,12-13H2