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

Systemtic Name: 4-imidazol-1-yl-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-4-imidazol-1-yl-3-nitro-benzamide CAS Name: 4-(1-imidazolyl)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-imidazol-1-yl-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-4-imidazol-1-yl-3-nitro-benzamide Formula: C19H16N8O3S2 MolecularWeight: 468.51214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])C4=NNC(=S)N4CC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])C4=NNC(=S)N4CC=C

InChI

InChI=1S/C19H16N8O3S2/c1-3-7-26-16(23-24-19(26)31)15-11(2)21-18(32-15)22-17(28)12-4-5-13(14(9-12)27(29)30)25-8-6-20-10-25/h3-6,8-10H,1,7H2,2H3,(H,24,31)(H,21,22,28)