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

Systemtic Name: 4-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)butan-1-one Openeye Name: 4-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)butan-1-one CAS Name: 4-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)-1-butanone IUPAC Name: 4-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)butan-1-one Traditional Name: 4-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)butan-1-one Formula: C17H16BrN5OS MolecularWeight: 418.31084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(N2N)SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(N2N)SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrN5OS/c18-14-7-5-12(6-8-14)15(24)4-2-10-25-17-22-21-16(23(17)19)13-3-1-9-20-11-13/h1,3,5-9,11H,2,4,10,19H2