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

Systemtic Name: 3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-1-[(5-methylthiophen-2-yl)methyl]piperidine Openeye Name: 3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-[(5-methyl-2-thienyl)methyl]piperidine CAS Name: 3-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-1-[(5-methyl-2-thiophenyl)methyl]piperidine IUPAC Name: 3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-[(5-methylthiophen-2-yl)methyl]piperidine Traditional Name: 3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]-1-[(5-methyl-2-thienyl)methyl]piperidine Formula: C21H26N4S2 MolecularWeight: 398.58794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN2CCCC(C2)C3=NN=C(N3C)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(S1)CN2CCCC(C2)C3=NN=C(N3C)SCC4=CC=CC=C4

InChI

InChI=1S/C21H26N4S2/c1-16-10-11-19(27-16)14-25-12-6-9-18(13-25)20-22-23-21(24(20)2)26-15-17-7-4-3-5-8-17/h3-5,7-8,10-11,18H,6,9,12-15H2,1-2H3