ethyl 1-cyclohexyl-2-methyl-5-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]indole-3-carboxylate

Systemtic Name: ethyl 1-cyclohexyl-2-methyl-5-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]indole-3-carboxylate Openeye Name: ethyl 1-cyclohexyl-2-methyl-5-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]indole-3-carboxylate CAS Name: 1-cyclohexyl-2-methyl-5-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclohexyl-2-methyl-5-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]indole-3-carboxylate Traditional Name: 1-cyclohexyl-2-methyl-5-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]indole-3-carboxylic acid ethyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC3=NC(=S)NN3)C4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC3=NC(=S)NN3)C4CCCCC4)C

InChI

InChI=1S/C21H26N4O3S/c1-3-27-20(26)19-13(2)25(14-7-5-4-6-8-14)17-10-9-15(11-16(17)19)28-12-18-22-21(29)24-23-18/h9-11,14H,3-8,12H2,1-2H3,(H2,22,23,24,29)