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

Systemtic Name: ethyl 5-[(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-1-(4-chlorophenyl)-2-methyl-indole-3-carboxylate Openeye Name: ethyl 5-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-1-(4-chlorophenyl)-2-methyl-indole-3-carboxylate CAS Name: 5-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-1-(4-chlorophenyl)-2-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-1-(4-chlorophenyl)-2-methylindole-3-carboxylate Traditional Name: 5-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-1-(4-chlorophenyl)-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C21H20ClN5O3S MolecularWeight: 457.9332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC3=NNC(=S)N3N)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC3=NNC(=S)N3N)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C21H20ClN5O3S/c1-3-29-20(28)19-12(2)26(14-6-4-13(22)5-7-14)17-9-8-15(10-16(17)19)30-11-18-24-25-21(31)27(18)23/h4-10H,3,11,23H2,1-2H3,(H,25,31)