1-(4-bromophenyl)-3-phenyl-3-phenylsulfanyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-one

Systemtic Name: 1-(4-bromophenyl)-3-phenyl-3-phenylsulfanyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-one Openeye Name: 1-(4-bromophenyl)-3-phenyl-3-phenylsulfanyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-one CAS Name: 1-(4-bromophenyl)-3-phenyl-3-(phenylthio)-2-(1,2,4-triazol-1-ylmethyl)-1-propanone IUPAC Name: 1-(4-bromophenyl)-3-phenyl-3-phenylsulfanyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-one Traditional Name: 1-(4-bromophenyl)-3-phenyl-3-(phenylthio)-2-(1,2,4-triazol-1-ylmethyl)propan-1-one Formula: C24H20BrN3OS MolecularWeight: 478.4041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CN2C=NC=N2)C(=O)C3=CC=C(C=C3)Br)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(CN2C=NC=N2)C(=O)C3=CC=C(C=C3)Br)SC4=CC=CC=C4

InChI

InChI=1S/C24H20BrN3OS/c25-20-13-11-18(12-14-20)23(29)22(15-28-17-26-16-27-28)24(19-7-3-1-4-8-19)30-21-9-5-2-6-10-21/h1-14,16-17,22,24H,15H2