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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-butylphenyl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-butylphenyl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-butylphenyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-butylphenyl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-butylphenyl)ethanone Formula: C14H18N4OS MolecularWeight: 290.38392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C14H18N4OS/c1-2-3-4-10-5-7-11(8-6-10)12(19)9-20-14-16-13(15)17-18-14/h5-8H,2-4,9H2,1H3,(H3,15,16,17,18)