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

Systemtic Name: 1,1-bis(oxidanylidene)-2-[(2-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,2-benzothiazol-3-one Openeye Name: 1,1-dioxo-2-[(2-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-1,2-benzothiazol-3-one CAS Name: 1,1-dioxo-2-[(2-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,2-benzothiazol-3-one IUPAC Name: 1,1-dioxo-2-[(2-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[(2-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-1,2-benzothiazol-3-one Formula: C16H12N4O3S2 MolecularWeight: 372.42148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=S)N2)CN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=S)N2)CN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C16H12N4O3S2/c21-15-12-8-4-5-9-13(12)25(22,23)19(15)10-14-17-16(24)18-20(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,24)