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

Systemtic Name: N-aminocarbonyl-3-methyl-2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: N-carbamoyl-2-[[4-isopentyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide CAS Name: N-carbamoyl-3-methyl-2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-carbamoyl-3-methyl-2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-carbamoyl-2-[[4-isoamyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-3-methyl-butyramide Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SC(C(C)C)C(=O)NC(=O)N)COC2=CC=CC=C2

Isomeric SMILES

CC(C)CCN1C(=NN=C1SC(C(C)C)C(=O)NC(=O)N)COC2=CC=CC=C2

InChI

InChI=1S/C20H29N5O3S/c1-13(2)10-11-25-16(12-28-15-8-6-5-7-9-15)23-24-20(25)29-17(14(3)4)18(26)22-19(21)27/h5-9,13-14,17H,10-12H2,1-4H3,(H3,21,22,26,27)