1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidine

Systemtic Name: 1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidine Openeye Name: 3-(5-allylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-[(Z)-2-chloro-3-phenyl-allyl]piperidine CAS Name: 1-[(Z)-2-chloro-3-phenylprop-2-enyl]-3-[4-methyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]piperidine IUPAC Name: 1-[(Z)-2-chloro-3-phenylprop-2-enyl]-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidine Traditional Name: 3-[5-(allylthio)-4-methyl-1,2,4-triazol-3-yl]-1-[(Z)-2-chloro-3-phenyl-allyl]piperidine Formula: C20H25ClN4S MolecularWeight: 388.9573

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4S/c1-3-12-26-20-23-22-19(24(20)2)17-10-7-11-25(14-17)15-18(21)13-16-8-5-4-6-9-16/h3-6,8-9,13,17H,1,7,10-12,14-15H2,2H3/b18-13-