2-[3-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[3-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[3-[(4-tert-butylphenoxy)methyl]-4-(m-tolyl)-5-thioxo-1,2,4-triazol-1-yl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[3-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[3-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[3-[(4-tert-butylphenoxy)methyl]-4-(m-tolyl)-5-thioxo-1,2,4-triazol-1-yl]-N-isopropyl-N-phenyl-acetamide Formula: C31H36N4O2S MolecularWeight: 528.70814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN(C2=S)CC(=O)N(C3=CC=CC=C3)C(C)C)COC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN(C2=S)CC(=O)N(C3=CC=CC=C3)C(C)C)COC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C31H36N4O2S/c1-22(2)34(25-12-8-7-9-13-25)29(36)20-33-30(38)35(26-14-10-11-23(3)19-26)28(32-33)21-37-27-17-15-24(16-18-27)31(4,5)6/h7-19,22H,20-21H2,1-6H3