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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H19N5O4S/c1-12(18(25)20-16-11-15(24(26)27)9-10-17(16)28-3)29-19-22-21-13(2)23(19)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,20,25)