4-methoxy-N-[1-[4-methyl-5-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanyl-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]benzamide

Systemtic Name: 4-methoxy-N-[1-[4-methyl-5-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanyl-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]benzamide Openeye Name: N-[1-[5-(2-anilino-1-methyl-2-oxo-ethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]-4-methoxy-benzamide CAS Name: N-[1-[5-[(1-anilino-1-oxopropan-2-yl)thio]-4-methyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]-4-methoxybenzamide IUPAC Name: N-[1-[5-(1-anilino-1-oxopropan-2-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]-4-methoxybenzamide Traditional Name: N-[1-[5-[(2-anilino-2-keto-1-methyl-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]-4-methoxy-benzamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C)C(CO)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C)C(CO)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N5O4S/c1-14(20(29)23-16-7-5-4-6-8-16)32-22-26-25-19(27(22)2)18(13-28)24-21(30)15-9-11-17(31-3)12-10-15/h4-12,14,18,28H,13H2,1-3H3,(H,23,29)(H,24,30)