ethyl 4-[[3-[(4-cyclohexylphenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[3-[(4-cyclohexylphenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[3-[(4-cyclohexylphenoxy)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(4-cyclohexylphenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(4-cyclohexylphenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[3-[(4-cyclohexylphenoxy)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C29H37N5O3S MolecularWeight: 535.70078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)COC3=CC=C(C=C3)C4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)COC3=CC=C(C=C3)C4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C29H37N5O3S/c1-2-36-29(35)32-19-17-31(18-20-32)22-33-28(38)34(25-11-7-4-8-12-25)27(30-33)21-37-26-15-13-24(14-16-26)23-9-5-3-6-10-23/h4,7-8,11-16,23H,2-3,5-6,9-10,17-22H2,1H3