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

Systemtic Name: 3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-nitro-phenyl)propanamide Openeye Name: 3-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-nitro-phenyl)propanamide CAS Name: 3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-4-nitrophenyl)propanamide IUPAC Name: 3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-nitrophenyl)propanamide Traditional Name: 3-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-4-nitro-phenyl)propionamide Formula: C19H19N5O4S2 MolecularWeight: 445.51526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=C(N2C3CC3)C4=CC=CS4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=C(N2C3CC3)C4=CC=CS4

InChI

InChI=1S/C19H19N5O4S2/c1-28-15-11-13(24(26)27)6-7-14(15)20-17(25)8-10-30-19-22-21-18(16-3-2-9-29-16)23(19)12-4-5-12/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,20,25)