N-[(E)-[4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-4-nitro-benzamide bromide

Systemtic Name: N-[(E)-[4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-4-nitro-benzamide bromide Openeye Name: N-[(E)-[3-allyl-4-(p-tolyl)thiazol-2-ylidene]amino]-4-nitro-benzamide bromide CAS Name: N-[(E)-[4-(4-methylphenyl)-3-prop-2-enyl-2-thiazolylidene]amino]-4-nitrobenzamide bromide IUPAC Name: N-[(E)-[4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-4-nitrobenzamide bromide Traditional Name: N-[(E)-[3-allyl-4-(p-tolyl)-4-thiazolin-2-ylidene]amino]-4-nitro-benzamide bromide Formula: C20H18BrN4O3S- MolecularWeight: 474.35092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N2CC=C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CS/C(=N/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])/N2CC=C.[Br-]

InChI

InChI=1S/C20H18N4O3S.BrH/c1-3-12-23-18(15-6-4-14(2)5-7-15)13-28-20(23)22-21-19(25)16-8-10-17(11-9-16)24(26)27;/h3-11,13H,1,12H2,2H3,(H,21,25);1H/p-1/b22-20+;