5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C16H11N4S3- MolecularWeight: 355.48034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2[S-])CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2[S-])CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H12N4S3/c21-15-19-18-14(20(15)11-6-2-1-3-7-11)10-22-16-17-12-8-4-5-9-13(12)23-16/h1-9H,10H2,(H,19,21)/p-1