ethyl 5-[[5-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)furan-2-yl]methoxy]-6-bromanyl-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]-6-bromanyl-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]-6-bromo-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]-6-bromo-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]-6-bromo-1-butyl-2-methylindole-3-carboxylate Traditional Name: 5-[[5-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)-2-furyl]methoxy]-6-bromo-1-butyl-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C23H26BrN5O4S MolecularWeight: 548.45264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC(=C(C=C21)Br)OCC3=CC=C(O3)C4=NNC(=S)N4N)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C2=CC(=C(C=C21)Br)OCC3=CC=C(O3)C4=NNC(=S)N4N)C(=O)OCC)C

InChI

InChI=1S/C23H26BrN5O4S/c1-4-6-9-28-13(3)20(22(30)31-5-2)15-10-19(16(24)11-17(15)28)32-12-14-7-8-18(33-14)21-26-27-23(34)29(21)25/h7-8,10-11H,4-6,9,12,25H2,1-3H3,(H,27,34)