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

Systemtic Name: (2-cyclohexylimino-4-methyl-pyridin-1-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methanone Openeye Name: (2-cyclohexylimino-4-methyl-1-pyridyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methanone CAS Name: (2-cyclohexylimino-4-methyl-1-pyridinyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]methanone IUPAC Name: (2-cyclohexylimino-4-methylpyridin-1-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]methanone Traditional Name: (2-cyclohexylimino-4-methyl-1-pyridyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]methanone Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2CCCCC2)N(C=C1)C(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC2CCCCC2)N(C=C1)C(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O3S/c1-15-10-11-27(20(12-15)24-17-6-4-3-5-7-17)21(29)16-8-9-19(18(13-16)28(30)31)32-22-25-23-14-26(22)2/h8-14,17H,3-7H2,1-2H3