2-[4-ethyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-[4-ethyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[5-(2-anilino-2-oxo-ethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[5-[(2-anilino-2-oxoethyl)thio]-4-ethyl-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[5-[(2-anilino-2-keto-ethyl)thio]-4-ethyl-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23N5O3S/c1-3-26-18(13-19(27)22-16-9-11-17(29-2)12-10-16)24-25-21(26)30-14-20(28)23-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H,22,27)(H,23,28)