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

Systemtic Name: 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H21N5O3S/c1-14-13-17(26(28)29)9-10-18(14)22-19(27)11-12-30-21-24-23-20(15-7-8-15)25(21)16-5-3-2-4-6-16/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,22,27)