4-[5-[(3-bromophenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[5-[(3-bromophenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[(3-bromophenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(3-bromophenyl)methylthio]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(3-bromophenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[(3-bromobenzyl)thio]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine Formula: C17H15BrN4S MolecularWeight: 387.2968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC(=CC=C3)Br)C4=CC=NC=C4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC(=CC=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C17H15BrN4S/c18-14-3-1-2-12(10-14)11-23-17-21-20-16(22(17)15-4-5-15)13-6-8-19-9-7-13/h1-3,6-10,15H,4-5,11H2