N-(3-chloranyl-2-methyl-phenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)isonipecotamide Formula: C19H20ClN5OS MolecularWeight: 401.913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4

InChI

InChI=1S/C19H20ClN5OS/c1-13-15(20)5-4-6-16(13)21-17(26)14-7-11-25(12-8-14)19-23-22-18(27-19)24-9-2-3-10-24/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,21,26)