1-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]thio]-2-propanone IUPAC Name: 1-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]thio]acetone Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)C)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H19N3OS/c1-13-4-8-16(9-5-13)18-19(17-10-6-14(2)7-11-17)22-23-20(21-18)25-12-15(3)24/h4-11H,12H2,1-3H3