3-[5-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-propanamide

Systemtic Name: 3-[5-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-propanamide Openeye Name: 3-[5-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-propanamide CAS Name: 3-[5-[[2-(4-ethylanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-phenylpropanamide IUPAC Name: 3-[5-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenylpropanamide Traditional Name: 3-[5-[[2-(4-ethylanilino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-propionamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2S/c1-3-16-9-11-18(12-10-16)24-21(29)15-30-22-26-25-19(27(22)2)13-14-20(28)23-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,23,28)(H,24,29)