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

Systemtic Name: 3-methyl-N-[[4-methyl-5-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3-methyl-N-[[4-methyl-5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3-methyl-N-[[4-methyl-5-[[2-oxo-2-(1-phenylethylamino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-methyl-N-[[4-methyl-5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[5-[[2-keto-2-(1-phenylethylamino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2S/c1-15-8-7-11-18(12-15)21(29)23-13-19-25-26-22(27(19)3)30-14-20(28)24-16(2)17-9-5-4-6-10-17/h4-12,16H,13-14H2,1-3H3,(H,23,29)(H,24,28)