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

Systemtic Name: 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitro-phenyl)propanamide Openeye Name: 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-methoxy-2-nitrophenyl)propanamide IUPAC Name: 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)propanamide Traditional Name: 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)C4CC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4S/c1-30-16-9-10-17(18(13-16)26(28)29)22-19(27)11-12-31-21-24-23-20(14-7-8-14)25(21)15-5-3-2-4-6-15/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H,22,27)