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

Systemtic Name: N-(4-methyl-2-nitro-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-methyl-2-nitro-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-methyl-2-nitrophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-methyl-2-nitrophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-methyl-2-nitro-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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