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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC(=O)C3=CC=CC=C3OC

InChI

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