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

Systemtic Name: N-aminocarbonyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-methyl-butanamide Openeye Name: N-carbamoyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-methyl-butanamide CAS Name: N-carbamoyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-3-methylbutanamide IUPAC Name: N-carbamoyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-methylbutanamide Traditional Name: N-carbamoyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-3-methyl-butyramide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N5O2S/c1-13(2)18(19(27)24-20(22)28)29-21-23-16(14-9-5-3-6-10-14)17(25-26-21)15-11-7-4-8-12-15/h3-13,18H,1-2H3,(H3,22,24,27,28)