N-(2-methyl-2-morpholin-4-yl-propyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide

Systemtic Name: N-(2-methyl-2-morpholin-4-yl-propyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(2-methyl-2-morpholino-propyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[2-methyl-2-(4-morpholinyl)propyl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(2-methyl-2-morpholino-propyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NCC(C)(C)N3CCOCC3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NCC(C)(C)N3CCOCC3

InChI

InChI=1S/C20H29N5O2S/c1-15-5-4-6-16(13-15)18-22-23-19(28)25(18)8-7-17(26)21-14-20(2,3)24-9-11-27-12-10-24/h4-6,13H,7-12,14H2,1-3H3,(H,21,26)(H,23,28)