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

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide Formula: C17H16N5O3S+ MolecularWeight: 370.40564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H15N5O3S/c1-12-14(8-5-9-15(12)22(24)25)20-16(23)10-26-17-18-11-19-21(17)13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,20,23)/p+1