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

Systemtic Name: 2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-1-phenylethanone IUPAC Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-1-phenyl-ethanone Formula: C16H14N4OS MolecularWeight: 310.37356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H14N4OS/c17-20-15(13-9-5-2-6-10-13)18-19-16(20)22-11-14(21)12-7-3-1-4-8-12/h1-10H,11,17H2