N-(2-methoxy-5-nitro-phenyl)-2-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-[[4-(2-methylcyclohexyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[[4-(2-methylcyclohexyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-[[4-(2-methylcyclohexyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C24H28N6O4S MolecularWeight: 496.58192

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=NN=C2SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC)C4=CN=CC=C4

Isomeric SMILES

CC1CCCCC1N2C(=NN=C2SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC)C4=CN=CC=C4

InChI

InChI=1S/C24H28N6O4S/c1-15-7-4-5-9-20(15)29-22(17-8-6-12-25-14-17)27-28-24(29)35-16(2)23(31)26-19-13-18(30(32)33)10-11-21(19)34-3/h6,8,10-16,20H,4-5,7,9H2,1-3H3,(H,26,31)