1-[[5-[(5-chloranylthiophen-2-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine

Systemtic Name: 1-[[5-[(5-chloranylthiophen-2-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine Openeye Name: 1-[[5-[(5-chloro-2-thienyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine CAS Name: 1-[[5-[(5-chloro-2-thiophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine IUPAC Name: 1-[[5-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine Traditional Name: 1-[[5-[(5-chloro-2-thienyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine Formula: C19H21ClN4S2 MolecularWeight: 404.97984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(S4)Cl

Isomeric SMILES

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(S4)Cl

InChI

InChI=1S/C19H21ClN4S2/c20-17-10-9-16(26-17)14-25-19-22-21-18(13-23-11-5-2-6-12-23)24(19)15-7-3-1-4-8-15/h1,3-4,7-10H,2,5-6,11-14H2