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

Systemtic Name: 4-methoxy-N-[[4-methyl-5-(1-oxidanylidene-1-phenylazanyl-butan-2-yl)sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-methoxy-N-[[4-methyl-5-[1-(phenylcarbamoyl)propylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[5-[(1-anilino-1-oxobutan-2-yl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-(1-anilino-1-oxobutan-2-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: 4-methoxy-N-[[4-methyl-5-[1-(phenylcarbamoyl)propylthio]-1,2,4-triazol-3-yl]methyl]benzamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N5O3S/c1-4-18(21(29)24-16-8-6-5-7-9-16)31-22-26-25-19(27(22)2)14-23-20(28)15-10-12-17(30-3)13-11-15/h5-13,18H,4,14H2,1-3H3,(H,23,28)(H,24,29)