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

Systemtic Name: 4-methoxy-3-nitro-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]-4-methoxy-3-nitro-benzamide CAS Name: 4-methoxy-3-nitro-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-thiazolyl]benzamide IUPAC Name: 4-methoxy-3-nitro-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]-4-methoxy-3-nitro-benzamide Formula: C17H16N6O4S2 MolecularWeight: 432.47674

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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)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)CC3=NNC(=S)N3CC=C)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O4S2/c1-3-6-22-14(20-21-17(22)28)8-11-9-29-16(18-11)19-15(24)10-4-5-13(27-2)12(7-10)23(25)26/h3-5,7,9H,1,6,8H2,2H3,(H,21,28)(H,18,19,24)