[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl] (1Z)-2-oxidanylidene-N-phenylazanyl-propanimidothioate

Systemtic Name: [5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl] (1Z)-2-oxidanylidene-N-phenylazanyl-propanimidothioate Openeye Name: [5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl] (1Z)-N-anilino-2-oxo-propanimidothioate CAS Name: (1Z)-N-anilino-2-oxopropanimidothioic acid [5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl] ester IUPAC Name: [5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl] (1Z)-N-anilino-2-oxopropanimidothioate Traditional Name: (1Z)-N-anilino-2-keto-thiopropionimidic acid [5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl] ester Formula: C30H31N5O2S MolecularWeight: 525.66444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CC(=O)/C(=N/NC1=CC=CC=C1)/SC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C30H31N5O2S/c1-22(36)29(33-31-25-13-7-3-8-14-25)38-30-34-32-28(35(30)26-15-9-4-10-16-26)21-37-27-19-17-24(18-20-27)23-11-5-2-6-12-23/h3-4,7-10,13-20,23,31H,2,5-6,11-12,21H2,1H3/b33-29-