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

Systemtic Name: 1-[(5-methylfuran-2-yl)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-[(5-methyl-2-furyl)methyl]piperidine CAS Name: 1-[(5-methyl-2-furanyl)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-[(5-methylfuran-2-yl)methyl]piperidine Traditional Name: 3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]-1-[(5-methyl-2-furyl)methyl]piperidine Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2CCCC(C2)C3=NN=C(N3C)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)CN2CCCC(C2)C3=NN=C(N3C)SCC4=CC=CC=C4

InChI

InChI=1S/C21H26N4OS/c1-16-10-11-19(26-16)14-25-12-6-9-18(13-25)20-22-23-21(24(20)2)27-15-17-7-4-3-5-8-17/h3-5,7-8,10-11,18H,6,9,12-15H2,1-2H3