N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)benzamide

Systemtic Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)benzamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-(pyrimidin-2-ylamino)benzamide CAS Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-3-(2-pyrimidinylamino)benzamide IUPAC Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)benzamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-(2-pyrimidylamino)benzamide Formula: C20H18N8OS2 MolecularWeight: 450.53992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3)C4=NNC(=S)N4CC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3)C4=NNC(=S)N4CC=C

InChI

InChI=1S/C20H18N8OS2/c1-3-10-28-16(26-27-20(28)30)15-12(2)23-19(31-15)25-17(29)13-6-4-7-14(11-13)24-18-21-8-5-9-22-18/h3-9,11H,1,10H2,2H3,(H,27,30)(H,21,22,24)(H,23,25,29)