1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-3,3-dimethyl-butan-2-one Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3OS/c1-21(2,3)17(25)14-26-20-22-18(15-10-6-4-7-11-15)19(23-24-20)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3