2-methyl-N-[3-methyl-1-[4-(2-morpholin-4-ylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]butyl]benzamide

Systemtic Name: 2-methyl-N-[3-methyl-1-[4-(2-morpholin-4-ylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]butyl]benzamide Openeye Name: 2-methyl-N-[3-methyl-1-[4-(2-morpholinoethyl)-5-thioxo-1H-1,2,4-triazol-3-yl]butyl]benzamide CAS Name: 2-methyl-N-[3-methyl-1-[4-[2-(4-morpholinyl)ethyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]butyl]benzamide IUPAC Name: 2-methyl-N-[3-methyl-1-[4-(2-morpholin-4-ylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]butyl]benzamide Traditional Name: 2-methyl-N-[3-methyl-1-[4-(2-morpholinoethyl)-5-thioxo-1H-1,2,4-triazol-3-yl]butyl]benzamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(CC(C)C)C2=NNC(=S)N2CCN3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(CC(C)C)C2=NNC(=S)N2CCN3CCOCC3

InChI

InChI=1S/C21H31N5O2S/c1-15(2)14-18(22-20(27)17-7-5-4-6-16(17)3)19-23-24-21(29)26(19)9-8-25-10-12-28-13-11-25/h4-7,15,18H,8-14H2,1-3H3,(H,22,27)(H,24,29)