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

Systemtic Name: 4-[5-[(4-bromophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[(4-bromophenyl)methylsulfanyl]-4-(m-tolyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(4-bromophenyl)methylthio]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(4-bromophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[(4-bromobenzyl)thio]-4-(m-tolyl)-1,2,4-triazol-3-yl]pyridine Formula: C21H17BrN4S MolecularWeight: 437.35548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C21H17BrN4S/c1-15-3-2-4-19(13-15)26-20(17-9-11-23-12-10-17)24-25-21(26)27-14-16-5-7-18(22)8-6-16/h2-13H,14H2,1H3