1-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one Openeye Name: 1-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-5-thioxo-1,2,4-triazolidin-3-one CAS Name: 1-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one IUPAC Name: 1-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one Traditional Name: 1-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-5-thioxo-1,2,4-triazolidin-3-one Formula: C16H12N4O2S2 MolecularWeight: 356.42208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)NN(C2=S)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)NN(C2=S)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H12N4O2S2/c1-22-11-8-6-10(7-9-11)19-14(21)18-20(16(19)23)15-17-12-4-2-3-5-13(12)24-15/h2-9H,1H3,(H,18,21)