N,N-dimethyl-4-[2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O3S/c1-25(2)19(28)16-8-10-17(11-9-16)22-18(27)14-30-21-24-23-20(29)26(21)13-12-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3,(H,22,27)(H,23,29)