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

Systemtic Name: 3-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile CAS Name: 3-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: 3-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)thio]propionitrile Formula: C18H22N4S MolecularWeight: 326.45908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCCC#N)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N4S/c19-12-7-13-23-18-21-20-17(14-15-8-3-1-4-9-15)22(18)16-10-5-2-6-11-16/h1,3-4,8-9,16H,2,5-7,10-11,13-14H2