1-[(E)-2-methylbut-2-enyl]-3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidine

Systemtic Name: 1-[(E)-2-methylbut-2-enyl]-3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidine Openeye Name: 3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-[(E)-2-methylbut-2-enyl]piperidine CAS Name: 1-[(E)-2-methylbut-2-enyl]-3-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]piperidine IUPAC Name: 3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-[(E)-2-methylbut-2-enyl]piperidine Traditional Name: 3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]-1-[(E)-2-methylbut-2-enyl]piperidine Formula: C20H28N4S MolecularWeight: 356.52812

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)CN1CCCC(C1)C2=NN=C(N2C)SCC3=CC=CC=C3

Isomeric SMILES

C/C=C(\C)/CN1CCCC(C1)C2=NN=C(N2C)SCC3=CC=CC=C3

InChI

InChI=1S/C20H28N4S/c1-4-16(2)13-24-12-8-11-18(14-24)19-21-22-20(23(19)3)25-15-17-9-6-5-7-10-17/h4-7,9-10,18H,8,11-15H2,1-3H3/b16-4+