3-(3,4-dimethylphenyl)-1-(phenylmethyl)-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dimethylphenyl)-1-(phenylmethyl)-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-(3,4-dimethylphenyl)-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide CAS Name: 3-(3,4-dimethylphenyl)-1-(phenylmethyl)-N-(1,3,4-thiadiazol-2-yl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(3,4-dimethylphenyl)-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-3-(3,4-dimethylphenyl)-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=NN=CS3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=NN=CS3)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H19N5OS/c1-14-8-9-17(10-15(14)2)19-18(20(27)23-21-24-22-13-28-21)12-26(25-19)11-16-6-4-3-5-7-16/h3-10,12-13H,11H2,1-2H3,(H,23,24,27)