N-(2,3-dimethyl-6-nitro-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=CN2C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=CN2C3=CC=CC=C3)C

InChI

InChI=1S/C18H17N5O3S/c1-12-8-9-15(23(25)26)17(13(12)2)20-16(24)10-27-18-21-19-11-22(18)14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,20,24)