4-[4-(3-chloranyl-2-methyl-phenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[4-(3-chloranyl-2-methyl-phenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-(3-chloro-2-methyl-phenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(3-chloro-2-methylphenyl)-5-[(3-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-(3-chloro-2-methylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-(3-chloro-2-methyl-phenyl)-5-[(3-nitrobenzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C21H16ClN5O2S MolecularWeight: 437.90204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=NC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=NC=C4

InChI

InChI=1S/C21H16ClN5O2S/c1-14-18(22)6-3-7-19(14)26-20(16-8-10-23-11-9-16)24-25-21(26)30-13-15-4-2-5-17(12-15)27(28)29/h2-12H,13H2,1H3