[1-(3-chloranyl-4-methyl-phenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]-piperidin-1-yl-methanone

Systemtic Name: [1-(3-chloranyl-4-methyl-phenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-(3-chloro-4-methyl-phenyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]-(1-piperidyl)methanone CAS Name: [1-(3-chloro-4-methylphenyl)-5-[(2-pyrimidinylthio)methyl]-4-triazolyl]-(1-piperidinyl)methanone IUPAC Name: [1-(3-chloro-4-methylphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]-piperidin-1-ylmethanone Traditional Name: [1-(3-chloro-4-methyl-phenyl)-5-[(2-pyrimidylthio)methyl]triazol-4-yl]-piperidino-methanone Formula: C20H21ClN6OS MolecularWeight: 428.93834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)N3CCCCC3)CSC4=NC=CC=N4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)N3CCCCC3)CSC4=NC=CC=N4)Cl

InChI

InChI=1S/C20H21ClN6OS/c1-14-6-7-15(12-16(14)21)27-17(13-29-20-22-8-5-9-23-20)18(24-25-27)19(28)26-10-3-2-4-11-26/h5-9,12H,2-4,10-11,13H2,1H3