2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)ethanamide

Systemtic Name: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)ethanamide Openeye Name: 2-[[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide CAS Name: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(9-ethyl-3-carbazolyl)acetamide IUPAC Name: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide Traditional Name: 2-[[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(9-ethylcarbazol-3-yl)acetamide Formula: C29H23BrN6OS MolecularWeight: 583.50152

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Br)C5=CC=NC=C5)C6=CC=CC=C61

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Br)C5=CC=NC=C5)C6=CC=CC=C61

InChI

InChI=1S/C29H23BrN6OS/c1-2-35-25-6-4-3-5-23(25)24-17-21(9-12-26(24)35)32-27(37)18-38-29-34-33-28(19-13-15-31-16-14-19)36(29)22-10-7-20(30)8-11-22/h3-17H,2,18H2,1H3,(H,32,37)