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

Systemtic Name: ethyl 5-[(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-1-cyclohexyl-2-methyl-indole-3-carboxylate Openeye Name: ethyl 5-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-1-cyclohexyl-2-methyl-indole-3-carboxylate CAS Name: 5-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-1-cyclohexyl-2-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-1-cyclohexyl-2-methylindole-3-carboxylate Traditional Name: 5-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-1-cyclohexyl-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC3=NNC(=S)N3N)C4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC3=NNC(=S)N3N)C4CCCCC4)C

InChI

InChI=1S/C21H27N5O3S/c1-3-28-20(27)19-13(2)25(14-7-5-4-6-8-14)17-10-9-15(11-16(17)19)29-12-18-23-24-21(30)26(18)22/h9-11,14H,3-8,12,22H2,1-2H3,(H,24,30)