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

Systemtic Name: ethyl 5-[(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-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-2-methyl-indole-3-carboxylate CAS Name: 5-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-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-2-methylindole-3-carboxylate Traditional Name: 5-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-1-benzyl-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC3=NNC(=S)N3N)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC3=NNC(=S)N3N)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H23N5O3S/c1-3-29-21(28)20-14(2)26(12-15-7-5-4-6-8-15)18-10-9-16(11-17(18)20)30-13-19-24-25-22(31)27(19)23/h4-11H,3,12-13,23H2,1-2H3,(H,25,31)