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

Systemtic Name: 1-phenyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,2,4-triazol-1-yl)ethanone Openeye Name: 1-phenyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,2,4-triazol-1-yl)ethanone CAS Name: 1-phenyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-2-(1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-phenyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,2,4-triazol-1-yl)ethanone Traditional Name: 1-phenyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-2-(1,2,4-triazol-1-yl)ethanone Formula: C18H14N6OS MolecularWeight: 362.40836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SC(C(=O)C3=CC=CC=C3)N4C=NC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SC(C(=O)C3=CC=CC=C3)N4C=NC=N4

InChI

InChI=1S/C18H14N6OS/c25-15(13-7-3-1-4-8-13)17(24-12-19-11-20-24)26-18-21-16(22-23-18)14-9-5-2-6-10-14/h1-12,17H,(H,21,22,23)