2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)ethanone

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)ethanone Openeye Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)ethanone CAS Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)ethanone IUPAC Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)ethanone Traditional Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)ethanone Formula: C18H13BrN4OS MolecularWeight: 413.29102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(=O)CSC3=NNC(=N3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)CSC3=NNC(=N3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H13BrN4OS/c19-12-7-5-11(6-8-12)17-21-18(23-22-17)25-10-16(24)14-9-20-15-4-2-1-3-13(14)15/h1-9,20H,10H2,(H,21,22,23)