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

Systemtic Name: ethyl 5-[(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-1-butyl-2-methyl-indole-3-carboxylate Openeye Name: ethyl 5-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-1-butyl-2-methyl-indole-3-carboxylate CAS Name: 5-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-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]-1-butyl-2-methylindole-3-carboxylate Traditional Name: 5-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-1-butyl-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C=CC(=C2)OCC3=NNC(=S)N3N)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C2=C1C=CC(=C2)OCC3=NNC(=S)N3N)C(=O)OCC)C

InChI

InChI=1S/C19H25N5O3S/c1-4-6-9-23-12(3)17(18(25)26-5-2)14-10-13(7-8-15(14)23)27-11-16-21-22-19(28)24(16)20/h7-8,10H,4-6,9,11,20H2,1-3H3,(H,22,28)