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

Systemtic Name: 3-methyl-N-[[4-methyl-5-(1-oxidanylidene-1-phenylazanyl-butan-2-yl)sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3-methyl-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]-3-methylbenzamide IUPAC Name: N-[[5-(1-anilino-1-oxobutan-2-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: 3-methyl-N-[[4-methyl-5-[1-(phenylcarbamoyl)propylthio]-1,2,4-triazol-3-yl]methyl]benzamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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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(=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S/c1-4-18(21(29)24-17-11-6-5-7-12-17)30-22-26-25-19(27(22)3)14-23-20(28)16-10-8-9-15(2)13-16/h5-13,18H,4,14H2,1-3H3,(H,23,28)(H,24,29)