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

Systemtic Name: N-(3-acetamido-4-methoxy-phenyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(3-acetamido-4-methoxy-phenyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(3-acetamido-4-methoxyphenyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(3-acetamido-4-methoxyphenyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(3-acetamido-4-methoxy-phenyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3S/c1-13-4-6-15(7-5-13)20-24-25-21(30)26(20)11-10-19(28)23-16-8-9-18(29-3)17(12-16)22-14(2)27/h4-9,12H,10-11H2,1-3H3,(H,22,27)(H,23,28)(H,25,30)