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

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4S/c1-29-15-9-10-16(17(11-15)25(27)28)21-18(26)12-30-20-22-19(13-7-8-13)24(23-20)14-5-3-2-4-6-14/h2-6,9-11,13H,7-8,12H2,1H3,(H,21,26)