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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C16H19N5S MolecularWeight: 313.42056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SCC3=CC=CC=C3C#N

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C16H19N5S/c17-10-13-8-4-5-9-14(13)11-22-16-20-19-15(21(16)18)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,11,18H2