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

Systemtic Name: N-aminocarbonyl-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-butanamide Openeye Name: N-carbamoyl-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-butanamide CAS Name: N-carbamoyl-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-3-methylbutanamide IUPAC Name: N-carbamoyl-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide Traditional Name: N-carbamoyl-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-3-methyl-butyramide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N5O2S/c1-13(2)16(18(26)22-19(21)27)28-20-24-23-17(14-9-5-3-6-10-14)25(20)15-11-7-4-8-12-15/h3-13,16H,1-2H3,(H3,21,22,26,27)