2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-oxidanyl-1-benzothiophen-2-yl)ethanone

Systemtic Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-oxidanyl-1-benzothiophen-2-yl)ethanone Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-hydroxybenzothiophen-2-yl)ethanone CAS Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1-(3-hydroxy-1-benzothiophen-2-yl)ethanone IUPAC Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-hydroxy-1-benzothiophen-2-yl)ethanone Traditional Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1-(3-hydroxybenzothiophen-2-yl)ethanone Formula: C14H13N3O2S2 MolecularWeight: 319.40192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC(=O)C2=C(C3=CC=CC=C3S2)O

Isomeric SMILES

CC1=NN=C(N1C)SCC(=O)C2=C(C3=CC=CC=C3S2)O

InChI

InChI=1S/C14H13N3O2S2/c1-8-15-16-14(17(8)2)20-7-10(18)13-12(19)9-5-3-4-6-11(9)21-13/h3-6,19H,7H2,1-2H3