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

Systemtic Name: N-aminocarbonyl-2-[[5-[(2-chloranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide Openeye Name: N-carbamoyl-2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide CAS Name: N-carbamoyl-2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-3-methylbutanamide IUPAC Name: N-carbamoyl-2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanamide Traditional Name: N-carbamoyl-2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-3-methyl-butyramide Formula: C21H22ClN5O3S MolecularWeight: 459.94908

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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)COC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN5O3S/c1-13(2)18(19(28)24-20(23)29)31-21-26-25-17(27(21)14-8-4-3-5-9-14)12-30-16-11-7-6-10-15(16)22/h3-11,13,18H,12H2,1-2H3,(H3,23,24,28,29)