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

Systemtic Name: 3-[(4-phenethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[(4-phenethyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one CAS Name: 3-[(4-phenethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[(4-phenethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[(4-phenethyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Formula: C18H16N4OS2 MolecularWeight: 368.47584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NNC2=S)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NNC2=S)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C18H16N4OS2/c23-18-22(14-8-4-5-9-15(14)25-18)12-16-19-20-17(24)21(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,24)