N-(4-ethoxyphenyl)-3-[4-methyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: N-(4-ethoxyphenyl)-3-[4-methyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-(2-anilino-2-oxo-ethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)propanamide CAS Name: 3-[5-[(2-anilino-2-oxoethyl)thio]-4-methyl-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)propanamide IUPAC Name: 3-[5-(2-anilino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)propanamide Traditional Name: 3-[5-[(2-anilino-2-keto-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]-N-p-phenetyl-propionamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O3S/c1-3-30-18-11-9-17(10-12-18)23-20(28)14-13-19-25-26-22(27(19)2)31-15-21(29)24-16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3,(H,23,28)(H,24,29)