(2-cyclohexyliminopyridin-1-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methanone

Systemtic Name: (2-cyclohexyliminopyridin-1-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methanone Openeye Name: (2-cyclohexylimino-1-pyridyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methanone CAS Name: (2-cyclohexylimino-1-pyridinyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]methanone IUPAC Name: (2-cyclohexyliminopyridin-1-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]methanone Traditional Name: (2-cyclohexylimino-1-pyridyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]methanone Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N3C=CC=CC3=NC4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N3C=CC=CC3=NC4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O3S/c1-25-14-22-24-21(25)31-18-11-10-15(13-17(18)27(29)30)20(28)26-12-6-5-9-19(26)23-16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8H2,1H3