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

Systemtic Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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