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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)pyrazole-4-carboxamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-(p-tolyl)pyrazole-4-carboxamide Formula: C22H21N5OS2 MolecularWeight: 435.56504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5OS2/c1-3-29-22-25-24-21(30-22)23-20(28)18-14-27(13-16-7-5-4-6-8-16)26-19(18)17-11-9-15(2)10-12-17/h4-12,14H,3,13H2,1-2H3,(H,23,24,28)