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

Systemtic Name: 3-bromanyl-4-methoxy-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]benzamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-bromo-4-methoxy-benzamide CAS Name: 3-bromo-4-methoxy-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]benzamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-bromo-4-methoxy-benzamide Formula: C17H16BrN5O2S2 MolecularWeight: 466.37524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=C(C=C2)OC)Br)C3=NNC(=S)N3CC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=C(C=C2)OC)Br)C3=NNC(=S)N3CC=C

InChI

InChI=1S/C17H16BrN5O2S2/c1-4-7-23-14(21-22-17(23)26)13-9(2)19-16(27-13)20-15(24)10-5-6-12(25-3)11(18)8-10/h4-6,8H,1,7H2,2-3H3,(H,22,26)(H,19,20,24)