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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-methoxyphenyl)ethanone Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C11H12N4O2S/c1-17-8-4-2-7(3-5-8)9(16)6-18-11-13-10(12)14-15-11/h2-5H,6H2,1H3,(H3,12,13,14,15)