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

Systemtic Name: N-(2-methyl-4-morpholin-4-yl-phenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(2-methyl-4-morpholino-phenyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[2-methyl-4-(4-morpholinyl)phenyl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(2-methyl-4-morpholin-4-ylphenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(2-methyl-4-morpholino-phenyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=C(C=C(C=C3)N4CCOCC4)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=C(C=C(C=C3)N4CCOCC4)C

InChI

InChI=1S/C23H27N5O2S/c1-16-4-3-5-18(14-16)22-25-26-23(31)28(22)9-8-21(29)24-20-7-6-19(15-17(20)2)27-10-12-30-13-11-27/h3-7,14-15H,8-13H2,1-2H3,(H,24,29)(H,26,31)