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

Systemtic Name: ethyl 5-[[5-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)furan-2-yl]methoxy]-1-butyl-2-methyl-indole-3-carboxylate Openeye Name: ethyl 5-[[5-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)-2-furyl]methoxy]-1-butyl-2-methyl-indole-3-carboxylate CAS Name: 5-[[5-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-furanyl]methoxy]-1-butyl-2-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[5-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)furan-2-yl]methoxy]-1-butyl-2-methylindole-3-carboxylate Traditional Name: 5-[[5-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)-2-furyl]methoxy]-1-butyl-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C=CC(=C2)OCC3=CC=C(O3)C4=NNC(=S)N4N)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C2=C1C=CC(=C2)OCC3=CC=C(O3)C4=NNC(=S)N4N)C(=O)OCC)C

InChI

InChI=1S/C23H27N5O4S/c1-4-6-11-27-14(3)20(22(29)30-5-2)17-12-15(7-9-18(17)27)31-13-16-8-10-19(32-16)21-25-26-23(33)28(21)24/h7-10,12H,4-6,11,13,24H2,1-3H3,(H,26,33)