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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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