2-(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-phenyl-ethanone

Systemtic Name: 2-(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-phenyl-ethanone Openeye Name: 2-(4-butyl-5-thioxo-1H-1,2,4-triazol-3-yl)-1-phenyl-ethanone CAS Name: 2-(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-phenylethanone IUPAC Name: 2-(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-phenylethanone Traditional Name: 2-(4-butyl-5-thioxo-1H-1,2,4-triazol-3-yl)-1-phenyl-ethanone Formula: C14H17N3OS MolecularWeight: 275.36928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCN1C(=NNC1=S)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3OS/c1-2-3-9-17-13(15-16-14(17)19)10-12(18)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,16,19)