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

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-3-[3-(m-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=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=C(C=CC(=C3)NC(=O)C)OC

Isomeric SMILES

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

InChI

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