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

Systemtic Name: [1-(3-chloranyl-4-methyl-phenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-(3-chloro-4-methyl-phenyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-(3-chloro-4-methylphenyl)-5-[(2-pyrimidinylthio)methyl]-4-triazolyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-(3-chloro-4-methylphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-(3-chloro-4-methyl-phenyl)-5-[(2-pyrimidylthio)methyl]triazol-4-yl]-pyrrolidino-methanone Formula: C19H19ClN6OS MolecularWeight: 414.91176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)N3CCCC3)CSC4=NC=CC=N4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)N3CCCC3)CSC4=NC=CC=N4)Cl

InChI

InChI=1S/C19H19ClN6OS/c1-13-5-6-14(11-15(13)20)26-16(12-28-19-21-7-4-8-22-19)17(23-24-26)18(27)25-9-2-3-10-25/h4-8,11H,2-3,9-10,12H2,1H3