5-nitro-N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide

Systemtic Name: 5-nitro-N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide Openeye Name: N-(6-isopropyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-furan-2-carboxamide CAS Name: 5-nitro-N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-furancarboxamide IUPAC Name: 5-nitro-N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide Traditional Name: N-(6-isopropyl-3-propargyl-1,3-benzothiazol-2-ylidene)-5-nitro-2-furamide Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(O3)[N+](=O)[O-])S2)CC#C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(O3)[N+](=O)[O-])S2)CC#C

InChI

InChI=1S/C18H15N3O4S/c1-4-9-20-13-6-5-12(11(2)3)10-15(13)26-18(20)19-17(22)14-7-8-16(25-14)21(23)24/h1,5-8,10-11H,9H2,2-3H3