(E)-1-(1,3-benzothiazol-2-yl)-3-(4-methyl-3-nitro-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(4-methyl-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(4-methyl-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(4-methyl-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Formula: C17H12N2O3S MolecularWeight: 324.35378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O3S/c1-11-6-7-12(10-14(11)19(21)22)8-9-15(20)17-18-13-4-2-3-5-16(13)23-17/h2-10H,1H3/b9-8+