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

Systemtic Name: N-(4-methyl-2-nitro-phenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-methyl-2-nitro-phenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-methyl-2-nitrophenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-methyl-2-nitrophenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-methyl-2-nitro-phenyl)acetamide Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O4S/c1-13-7-8-15(16(11-13)24(27)28)20-17(25)12-29-19-22-21-18(26)23(19)10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,25)(H,21,26)