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

Systemtic Name: ethyl 5-[(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-6-bromanyl-2-methyl-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-1-benzyl-6-bromo-2-methyl-indole-3-carboxylate CAS Name: 5-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-6-bromo-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-1-benzyl-6-bromo-2-methylindole-3-carboxylate Traditional Name: 5-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-1-benzyl-6-bromo-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C22H22BrN5O3S MolecularWeight: 516.41078

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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)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OCC3=NNC(=S)N3N)Br)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H22BrN5O3S/c1-3-30-21(29)20-13(2)27(11-14-7-5-4-6-8-14)17-10-16(23)18(9-15(17)20)31-12-19-25-26-22(32)28(19)24/h4-10H,3,11-12,24H2,1-2H3,(H,26,32)