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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-phenoxyphenyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-phenoxyphenyl)ethanone Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CSC3=NNC(=N3)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C16H14N4O2S/c17-15-18-16(20-19-15)23-10-14(21)11-6-8-13(9-7-11)22-12-4-2-1-3-5-12/h1-9H,10H2,(H3,17,18,19,20)