5-cyclopropyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-cyclopropyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide CAS Name: 5-cyclopropyl-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-5-cyclopropyl-1H-pyrazole-3-carboxamide Formula: C16H15N5OS2 MolecularWeight: 357.4532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

Isomeric SMILES

C1CC1C2=CC(=NN2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

InChI

InChI=1S/C16H15N5OS2/c22-14(13-8-12(18-19-13)11-6-7-11)17-15-20-21-16(24-15)23-9-10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,18,19)(H,17,20,22)