ethyl 5-[[4-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]methoxy]-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]-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]-1-butyl-2-methyl-indole-3-carboxylate CAS Name: 5-[[4-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]methoxy]-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]-1-butyl-2-methylindole-3-carboxylate Traditional Name: 5-[4-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)benzyl]oxy-1-butyl-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C=CC(=C2)OCC3=CC=C(C=C3)C4=NNC(=S)N4N)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C2=C1C=CC(=C2)OCC3=CC=C(C=C3)C4=NNC(=S)N4N)C(=O)OCC)C

InChI

InChI=1S/C25H29N5O3S/c1-4-6-13-29-16(3)22(24(31)32-5-2)20-14-19(11-12-21(20)29)33-15-17-7-9-18(10-8-17)23-27-28-25(34)30(23)26/h7-12,14H,4-6,13,15,26H2,1-3H3,(H,28,34)