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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC2=NC(=NN2)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC2=NC(=NN2)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O3S/c1-29-17-9-7-16(8-10-17)20(28)23-13-18-24-21(26-25-18)30-14-19(27)22-12-11-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,22,27)(H,23,28)(H,24,25,26)