2-[[1-(2-chloranyl-3-methoxy-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-1-piperidin-1-yl-pentan-1-one

Systemtic Name: 2-[[1-(2-chloranyl-3-methoxy-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-1-piperidin-1-yl-pentan-1-one Openeye Name: 2-[[1-(2-chloro-3-methoxy-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-1-(1-piperidyl)pentan-1-one CAS Name: 2-[[1-(2-chloro-3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-3-methyl-1-(1-piperidinyl)-1-pentanone IUPAC Name: 2-[[1-(2-chloro-3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-1-piperidin-1-ylpentan-1-one Traditional Name: 2-[[1-(2-chloro-3-methoxy-phenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-3-methyl-1-piperidino-pentan-1-one Formula: C21H29ClN4O2S MolecularWeight: 436.99856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCCC1)SC2=NN(C(=N2)C)C3=C(C(=CC=C3)OC)Cl

Isomeric SMILES

CCC(C)C(C(=O)N1CCCCC1)SC2=NN(C(=N2)C)C3=C(C(=CC=C3)OC)Cl

InChI

InChI=1S/C21H29ClN4O2S/c1-5-14(2)19(20(27)25-12-7-6-8-13-25)29-21-23-15(3)26(24-21)16-10-9-11-17(28-4)18(16)22/h9-11,14,19H,5-8,12-13H2,1-4H3