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

Systemtic Name: 2-[[4-azanyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)ethanone CAS Name: 2-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]-1-(p-tolyl)ethanone Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrN4OS/c1-11-2-4-12(5-3-11)15(23)10-24-17-21-20-16(22(17)19)13-6-8-14(18)9-7-13/h2-9H,10,19H2,1H3