4-[5-(2-chloroethylsulfanyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[5-(2-chloroethylsulfanyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-(2-chloroethylsulfanyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-(2-chloroethylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-(2-chloroethylsulfanyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-(2-chloroethylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine Formula: C16H15ClN4OS MolecularWeight: 346.8345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCCCl)C3=CC=NC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCCCl)C3=CC=NC=C3

InChI

InChI=1S/C16H15ClN4OS/c1-22-14-4-2-13(3-5-14)21-15(12-6-9-18-10-7-12)19-20-16(21)23-11-8-17/h2-7,9-10H,8,11H2,1H3