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

Systemtic Name: 2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-[[4-cyclopropyl-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[[4-cyclopropyl-5-(4-methyl-1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[[4-cyclopropyl-5-(4-methylpiperidino)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C21H28N6O4S MolecularWeight: 460.54982

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(N2C3CC3)SC(C)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(N2C3CC3)SC(C)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H28N6O4S/c1-13-8-10-25(11-9-13)20-23-24-21(26(20)15-4-5-15)32-14(2)19(28)22-17-12-16(27(29)30)6-7-18(17)31-3/h6-7,12-15H,4-5,8-11H2,1-3H3,(H,22,28)