3-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-chloranyl-1-ethyl-quinolin-4-one

Systemtic Name: 3-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-chloranyl-1-ethyl-quinolin-4-one Openeye Name: 3-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)-6-chloro-1-ethyl-quinolin-4-one CAS Name: 3-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-chloro-1-ethyl-4-quinolinone IUPAC Name: 3-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-chloro-1-ethylquinolin-4-one Traditional Name: 3-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)-6-chloro-1-ethyl-4-quinolone Formula: C13H12ClN5OS MolecularWeight: 321.78528

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)Cl)C3=NNC(=S)N3N

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)Cl)C3=NNC(=S)N3N

InChI

InChI=1S/C13H12ClN5OS/c1-2-18-6-9(12-16-17-13(21)19(12)15)11(20)8-5-7(14)3-4-10(8)18/h3-6H,2,15H2,1H3,(H,17,21)