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

Systemtic Name: 4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzonitrile CAS Name: 4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzonitrile IUPAC Name: 4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzonitrile Traditional Name: 4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzonitrile Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O2S/c1-11-18-19-16(20(11)13-5-3-2-4-6-13)24-15-8-7-12(10-17)9-14(15)21(22)23/h7-9,13H,2-6H2,1H3