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

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

CC1=NN=C(N1C2CCCCC2)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H20N4S/c1-13-19-20-17(21(13)16-8-3-2-4-9-16)22-12-15-7-5-6-14(10-15)11-18/h5-7,10,16H,2-4,8-9,12H2,1H3