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

Systemtic Name: N-(4-dimethylaminophenyl)-2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-dimethylaminophenyl)-2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-dimethylaminophenyl)-2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-dimethylaminophenyl)-2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O3S/c1-23(2)14-9-5-13(6-10-14)19-16(25)11-28-18-20-17(21-22-18)12-3-7-15(8-4-12)24(26)27/h3-10H,11H2,1-2H3,(H,19,25)(H,20,21,22)