4-chloranyl-2-[[3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenol

Systemtic Name: 4-chloranyl-2-[[3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenol Openeye Name: 2-[[3-(5-allylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-piperidyl]methyl]-4-chloro-phenol CAS Name: 4-chloro-2-[[3-[4-methyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]-1-piperidinyl]methyl]phenol IUPAC Name: 4-chloro-2-[[3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenol Traditional Name: 2-[[3-[5-(allylthio)-4-methyl-1,2,4-triazol-3-yl]piperidino]methyl]-4-chloro-phenol Formula: C18H23ClN4OS MolecularWeight: 378.91942

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=C)C2CCCN(C2)CC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

CN1C(=NN=C1SCC=C)C2CCCN(C2)CC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C18H23ClN4OS/c1-3-9-25-18-21-20-17(22(18)2)13-5-4-8-23(11-13)12-14-10-15(19)6-7-16(14)24/h3,6-7,10,13,24H,1,4-5,8-9,11-12H2,2H3