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

Systemtic Name: ethyl 5-[(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-6-bromanyl-1-butyl-2-methyl-indole-3-carboxylate Openeye Name: ethyl 5-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-6-bromo-1-butyl-2-methyl-indole-3-carboxylate CAS Name: 5-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-6-bromo-1-butyl-2-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-6-bromo-1-butyl-2-methylindole-3-carboxylate Traditional Name: 5-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-6-bromo-1-butyl-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C19H24BrN5O3S MolecularWeight: 482.39456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC(=C(C=C21)Br)OCC3=NNC(=S)N3N)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C2=CC(=C(C=C21)Br)OCC3=NNC(=S)N3N)C(=O)OCC)C

InChI

InChI=1S/C19H24BrN5O3S/c1-4-6-7-24-11(3)17(18(26)27-5-2)12-8-15(13(20)9-14(12)24)28-10-16-22-23-19(29)25(16)21/h8-9H,4-7,10,21H2,1-3H3,(H,23,29)