2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)C3=CC=CN3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)C3=CC=CN3)C4=CC=CC=C4

InChI

InChI=1S/C21H16N4OS/c26-18(17-12-7-13-22-17)14-27-21-23-19(15-8-3-1-4-9-15)20(24-25-21)16-10-5-2-6-11-16/h1-13,22H,14H2