1-[5-azanyl-4-(1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)pyrazol-3-yl]ethanone

Systemtic Name: 1-[5-azanyl-4-(1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)pyrazol-3-yl]ethanone Openeye Name: 1-[5-amino-4-(1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)pyrazol-3-yl]ethanone CAS Name: 1-[5-amino-4-(1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)-3-pyrazolyl]ethanone IUPAC Name: 1-[5-amino-4-(1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)pyrazol-3-yl]ethanone Traditional Name: 1-[5-amino-4-(1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)pyrazol-3-yl]ethanone Formula: C18H13N5O3S MolecularWeight: 379.39252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(=C1C2=NC3=CC=CC=C3S2)N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=NN(C(=C1C2=NC3=CC=CC=C3S2)N)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O3S/c1-10(24)16-15(18-20-13-4-2-3-5-14(13)27-18)17(19)22(21-16)11-6-8-12(9-7-11)23(25)26/h2-9H,19H2,1H3