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

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-methyl-4-nitrophenyl)-3-[(4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-methyl-4-nitro-phenyl)-3-[(4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C18H17N5O3S/c1-13-11-15(23(25)26)7-8-16(13)20-17(24)9-10-27-18-21-19-12-22(18)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,20,24)