4-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C17H20N4S MolecularWeight: 312.4325

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3CCCCC3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3CCCCC3

InChI

InChI=1S/C17H20N4S/c1-21-16(15-5-3-2-4-6-15)19-20-17(21)22-12-14-9-7-13(11-18)8-10-14/h7-10,15H,2-6,12H2,1H3