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

Systemtic Name: 3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one CAS Name: 3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Formula: C16H12N4OS2 MolecularWeight: 340.42268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NNC2=S)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NNC2=S)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C16H12N4OS2/c21-16-19(12-8-4-5-9-13(12)23-16)10-14-17-18-15(22)20(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,22)