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

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O4S/c1-13-16(9-6-10-17(13)25(28)29)21-18(26)14(2)30-20-23-22-19(27)24(20)12-11-15-7-4-3-5-8-15/h3-10,14H,11-12H2,1-2H3,(H,21,26)(H,22,27)