1-[(3-ethoxy-4-methoxy-phenyl)methyl]-3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidine

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-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-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidine CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-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-[(3-ethoxy-4-methoxyphenyl)methyl]piperidine Traditional Name: 3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]-1-(3-ethoxy-4-methoxy-benzyl)piperidine Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCCC(C2)C3=NN=C(N3C)SCC4=CC=CC=C4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCCC(C2)C3=NN=C(N3C)SCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H32N4O2S/c1-4-31-23-15-20(12-13-22(23)30-3)16-29-14-8-11-21(17-29)24-26-27-25(28(24)2)32-18-19-9-6-5-7-10-19/h5-7,9-10,12-13,15,21H,4,8,11,14,16-18H2,1-3H3