ethyl 5-[[4-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]methoxy]-6-bromanyl-1-butyl-2-methyl-indole-3-carboxylate

Systemtic Name: ethyl 5-[[4-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]methoxy]-6-bromanyl-1-butyl-2-methyl-indole-3-carboxylate Openeye Name: ethyl 5-[[4-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]methoxy]-6-bromo-1-butyl-2-methyl-indole-3-carboxylate CAS Name: 5-[[4-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]methoxy]-6-bromo-1-butyl-2-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]methoxy]-6-bromo-1-butyl-2-methylindole-3-carboxylate Traditional Name: 5-[4-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)benzyl]oxy-6-bromo-1-butyl-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C25H28BrN5O3S MolecularWeight: 558.49052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC(=C(C=C21)Br)OCC3=CC=C(C=C3)C4=NNC(=S)N4N)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C2=CC(=C(C=C21)Br)OCC3=CC=C(C=C3)C4=NNC(=S)N4N)C(=O)OCC)C

InChI

InChI=1S/C25H28BrN5O3S/c1-4-6-11-30-15(3)22(24(32)33-5-2)18-12-21(19(26)13-20(18)30)34-14-16-7-9-17(10-8-16)23-28-29-25(35)31(23)27/h7-10,12-13H,4-6,11,14,27H2,1-3H3,(H,29,35)