N-(2,6-dimethylphenyl)-4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide Openeye Name: N-(2,6-dimethylphenyl)-4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide CAS Name: N-(2,6-dimethylphenyl)-4-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]butanamide IUPAC Name: N-(2,6-dimethylphenyl)-4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide Traditional Name: N-(2,6-dimethylphenyl)-4-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]butyramide Formula: C27H26N4OS MolecularWeight: 454.58654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H26N4OS/c1-19-11-9-12-20(2)24(19)28-23(32)17-10-18-33-27-29-25(21-13-5-3-6-14-21)26(30-31-27)22-15-7-4-8-16-22/h3-9,11-16H,10,17-18H2,1-2H3,(H,28,32)