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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CC3=NNC(=S)N3CC4=CC=CC=C4

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CC3=NNC(=S)N3CC4=CC=CC=C4

InChI

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