2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(4-nitrophenyl)ethanone Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)N

InChI

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