2-[[4-azanyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[4-amino-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[4-amino-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O3S/c1-11-3-2-4-12(9-11)16-20-21-17(22(16)18)27-10-15(24)19-13-5-7-14(8-6-13)23(25)26/h2-9H,10,18H2,1H3,(H,19,24)