1-(2,3-dihydroindol-1-yl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-indolin-1-yl-propan-1-one CAS Name: 1-(2,3-dihydroindol-1-yl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-propanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one Traditional Name: 1-indolin-1-yl-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propan-1-one Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C21H22N4O2S/c1-2-27-17-9-7-16(8-10-17)20-22-23-21(28)25(20)14-12-19(26)24-13-11-15-5-3-4-6-18(15)24/h3-10H,2,11-14H2,1H3,(H,23,28)