2-[3-[[(2,6-dimethylphenyl)amino]methyl]-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[3-[[(2,6-dimethylphenyl)amino]methyl]-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[4-allyl-3-[(2,6-dimethylanilino)methyl]-5-thioxo-1,2,4-triazol-1-yl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[3-[(2,6-dimethylanilino)methyl]-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[3-[(2,6-dimethylanilino)methyl]-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[4-allyl-3-[(2,6-dimethylanilino)methyl]-5-thioxo-1,2,4-triazol-1-yl]-N-isopropyl-N-phenyl-acetamide Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NCC2=NN(C(=S)N2CC=C)CC(=O)N(C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NCC2=NN(C(=S)N2CC=C)CC(=O)N(C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C25H31N5OS/c1-6-15-28-22(16-26-24-19(4)11-10-12-20(24)5)27-29(25(28)32)17-23(31)30(18(2)3)21-13-8-7-9-14-21/h6-14,18,26H,1,15-17H2,2-5H3