3-(4-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-(4-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide CAS Name: 3-(4-chlorophenyl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(4-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-3-(4-chlorophenyl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide Formula: C21H18ClN5OS2 MolecularWeight: 455.98352

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H18ClN5OS2/c1-2-29-21-25-24-20(30-21)23-19(28)17-13-27(12-14-6-4-3-5-7-14)26-18(17)15-8-10-16(22)11-9-15/h3-11,13H,2,12H2,1H3,(H,23,24,28)