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

Systemtic Name: 3-methyl-N-[[4-methyl-5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3-methyl-N-[[4-methyl-5-(2-morpholino-2-oxo-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3-methyl-N-[[4-methyl-5-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-methyl-N-[[4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[5-[(2-keto-2-morpholino-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)N3CCOCC3

InChI

InChI=1S/C18H23N5O3S/c1-13-4-3-5-14(10-13)17(25)19-11-15-20-21-18(22(15)2)27-12-16(24)23-6-8-26-9-7-23/h3-5,10H,6-9,11-12H2,1-2H3,(H,19,25)