1-(4-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(4-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-bromophenyl)-2-[[4-p-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C24H21BrN4O2S MolecularWeight: 509.41814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)C3=CC=C(C=C3)Br)C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)C3=CC=C(C=C3)Br)C4=CN=CC=C4

InChI

InChI=1S/C24H21BrN4O2S/c1-3-31-21-12-10-20(11-13-21)29-23(18-5-4-14-26-15-18)27-28-24(29)32-16(2)22(30)17-6-8-19(25)9-7-17/h4-16H,3H2,1-2H3