3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1H-indazol-7-yl)propanamide

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1H-indazol-7-yl)propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(1H-indazol-7-yl)propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1H-indazol-7-yl)propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1H-indazol-7-yl)propanamide Traditional Name: N-(1H-indazol-7-yl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC=CC4=C3NN=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC=CC4=C3NN=C4

InChI

InChI=1S/C20H20N6O2S/c1-2-28-15-8-6-13(7-9-15)19-24-25-20(29)26(19)11-10-17(27)22-16-5-3-4-14-12-21-23-18(14)16/h3-9,12H,2,10-11H2,1H3,(H,21,23)(H,22,27)(H,25,29)