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

Systemtic Name: ethyl 5-[(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-6-bromanyl-1-(3-chlorophenyl)-2-methyl-indole-3-carboxylate Openeye Name: ethyl 5-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-6-bromo-1-(3-chlorophenyl)-2-methyl-indole-3-carboxylate CAS Name: 5-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-6-bromo-1-(3-chlorophenyl)-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-(3-chlorophenyl)-2-methylindole-3-carboxylate Traditional Name: 5-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-6-bromo-1-(3-chlorophenyl)-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C21H19BrClN5O3S MolecularWeight: 536.82926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OCC3=NNC(=S)N3N)Br)C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OCC3=NNC(=S)N3N)Br)C4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C21H19BrClN5O3S/c1-3-30-20(29)19-11(2)27(13-6-4-5-12(23)7-13)16-9-15(22)17(8-14(16)19)31-10-18-25-26-21(32)28(18)24/h4-9H,3,10,24H2,1-2H3,(H,26,32)