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

Systemtic Name: 4-fluoranyl-N-[[5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzamide CAS Name: 4-fluoro-N-[[5-[[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-fluoro-N-[[5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[[2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzamide Formula: C19H19FN6O2S2 MolecularWeight: 446.521563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CSC(=N1)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H19FN6O2S2/c1-3-8-26-15(9-21-17(28)13-4-6-14(20)7-5-13)24-25-19(26)30-11-16(27)23-18-22-12(2)10-29-18/h3-7,10H,1,8-9,11H2,2H3,(H,21,28)(H,22,23,27)