4-[5-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]benzamide

Systemtic Name: 4-[5-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]benzamide Openeye Name: 4-[4-allyl-5-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]benzamide CAS Name: 4-[5-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]benzamide IUPAC Name: 4-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]benzamide Traditional Name: 4-[4-allyl-5-[[2-keto-2-(p-anisidino)ethyl]thio]-1,2,4-triazol-3-yl]benzamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H21N5O3S/c1-3-12-26-20(15-6-4-14(5-7-15)19(22)28)24-25-21(26)30-13-18(27)23-16-8-10-17(29-2)11-9-16/h3-11H,1,12-13H2,2H3,(H2,22,28)(H,23,27)