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

Systemtic Name: 4-methoxy-N-[[5-(3-oxidanylidene-3-phenylazanyl-propyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-(3-anilino-3-oxo-propyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[5-[(3-anilino-3-oxopropyl)thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-allyl-5-[(3-anilino-3-keto-propyl)thio]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H25N5O3S/c1-3-14-28-20(16-24-22(30)17-9-11-19(31-2)12-10-17)26-27-23(28)32-15-13-21(29)25-18-7-5-4-6-8-18/h3-12H,1,13-16H2,2H3,(H,24,30)(H,25,29)