N-(5-chloranyl-4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-furan-2-carboxamide

Systemtic Name: N-(5-chloranyl-4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-furan-2-carboxamide Openeye Name: N-(5-chloro-4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-furan-2-carboxamide CAS Name: N-(5-chloro-4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-2-furancarboxamide IUPAC Name: N-(5-chloro-4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitrofuran-2-carboxamide Traditional Name: N-(5-chloro-4-methyl-3-propargyl-1,3-benzothiazol-2-ylidene)-5-nitro-2-furamide Formula: C16H10ClN3O4S MolecularWeight: 375.7863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C(=NC(=O)C3=CC=C(O3)[N+](=O)[O-])S2)CC#C)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N(C(=NC(=O)C3=CC=C(O3)[N+](=O)[O-])S2)CC#C)Cl

InChI

InChI=1S/C16H10ClN3O4S/c1-3-8-19-14-9(2)10(17)4-6-12(14)25-16(19)18-15(21)11-5-7-13(24-11)20(22)23/h1,4-7H,8H2,2H3