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

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

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O4S/c1-13(20(27)22-17-11-10-16(30-2)12-18(17)26(28)29)31-21-23-19(14-8-9-14)25(24-21)15-6-4-3-5-7-15/h3-7,10-14H,8-9H2,1-2H3,(H,22,27)