4-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)butan-1-one

Systemtic Name: 4-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)butan-1-one Openeye Name: 4-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)butan-1-one CAS Name: 4-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)-1-butanone IUPAC Name: 4-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)butan-1-one Traditional Name: 4-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)butan-1-one Formula: C19H19BrN4O2S MolecularWeight: 447.34876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2N)SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2N)SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H19BrN4O2S/c1-26-17-7-3-2-5-15(17)18-22-23-19(24(18)21)27-12-4-6-16(25)13-8-10-14(20)11-9-13/h2-3,5,7-11H,4,6,12,21H2,1H3