1-[3-[5-sulfanylidene-3-(thiophen-3-ylmethyl)-1H-1,2,4-triazol-4-yl]phenyl]ethanone

Systemtic Name: 1-[3-[5-sulfanylidene-3-(thiophen-3-ylmethyl)-1H-1,2,4-triazol-4-yl]phenyl]ethanone Openeye Name: 1-[3-[3-(3-thienylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]ethanone CAS Name: 1-[3-[5-sulfanylidene-3-(3-thiophenylmethyl)-1H-1,2,4-triazol-4-yl]phenyl]ethanone IUPAC Name: 1-[3-[5-sulfanylidene-3-(thiophen-3-ylmethyl)-1H-1,2,4-triazol-4-yl]phenyl]ethanone Traditional Name: 1-[3-[3-(3-thenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]ethanone Formula: C15H13N3OS2 MolecularWeight: 315.41322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N2C(=NNC2=S)CC3=CSC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N2C(=NNC2=S)CC3=CSC=C3

InChI

InChI=1S/C15H13N3OS2/c1-10(19)12-3-2-4-13(8-12)18-14(16-17-15(18)20)7-11-5-6-21-9-11/h2-6,8-9H,7H2,1H3,(H,17,20)