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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)CC3=NNC(=S)N3CC=C)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)CC3=NNC(=S)N3CC=C)Br

InChI

InChI=1S/C17H16BrN5O2S2/c1-3-6-23-14(21-22-17(23)26)8-11-9-27-16(19-11)20-15(24)10-4-5-13(25-2)12(18)7-10/h3-5,7,9H,1,6,8H2,2H3,(H,22,26)(H,19,20,24)