N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide

Systemtic Name: N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide Openeye Name: N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide CAS Name: N-[5-(1H-benzimidazol-2-ylmethylthio)-1,3,4-thiadiazol-2-yl]-4-pyridinecarboxamide IUPAC Name: N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide Traditional Name: N-[5-(1H-benzimidazol-2-ylmethylthio)-1,3,4-thiadiazol-2-yl]isonicotinamide Formula: C16H12N6OS2 MolecularWeight: 368.43608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(S3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(S3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C16H12N6OS2/c23-14(10-5-7-17-8-6-10)20-15-21-22-16(25-15)24-9-13-18-11-3-1-2-4-12(11)19-13/h1-8H,9H2,(H,18,19)(H,20,21,23)