2-[3-[[(3-chloranyl-2-methyl-phenyl)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-[[(3-chloranyl-2-methyl-phenyl)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-[(3-chloro-2-methyl-anilino)methyl]-5-thioxo-1,2,4-triazol-1-yl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[3-[(3-chloro-2-methylanilino)methyl]-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[3-[(3-chloro-2-methylanilino)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-[(3-chloro-2-methyl-anilino)methyl]-5-thioxo-1,2,4-triazol-1-yl]-N-isopropyl-N-phenyl-acetamide Formula: C24H28ClN5OS MolecularWeight: 470.03002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NCC2=NN(C(=S)N2CC=C)CC(=O)N(C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NCC2=NN(C(=S)N2CC=C)CC(=O)N(C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C24H28ClN5OS/c1-5-14-28-22(15-26-21-13-9-12-20(25)18(21)4)27-29(24(28)32)16-23(31)30(17(2)3)19-10-7-6-8-11-19/h5-13,17,26H,1,14-16H2,2-4H3