N-(3-bromophenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(3-bromophenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(3-bromophenyl)-2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(3-bromophenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(3-bromophenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(3-bromophenyl)-2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C23H20BrN5OS MolecularWeight: 494.4068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC3=CC(=CC=C3)Br)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC3=CC(=CC=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C23H20BrN5OS/c1-15-6-8-20(9-7-15)29-21(17-10-12-25-13-11-17)27-28-23(29)31-16(2)22(30)26-19-5-3-4-18(24)14-19/h3-14,16H,1-2H3,(H,26,30)