3-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Formula: C17H14N4OS2 MolecularWeight: 354.44926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NNC2=S)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NNC2=S)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C17H14N4OS2/c22-17-20(13-8-4-5-9-14(13)24-17)11-15-18-19-16(23)21(15)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,23)