N-(4-methylphenyl)-1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(4-methylphenyl)-1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(p-tolyl)pyrrolidine-2-carboxamide CAS Name: N-(4-methylphenyl)-1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide Traditional Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(p-tolyl)pyrrolidine-2-carboxamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2CCCN2C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2CCCN2C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS/c1-15-9-11-17(12-10-15)22-20(26)18-8-5-13-25(18)21-23-19(24-27-21)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,22,26)