N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-thiophene-2-carboxamide Openeye Name: N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-thiophene-2-carboxamide CAS Name: N-[6-(methylthio)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitrothiophene-2-carboxamide Traditional Name: N-[6-(methylthio)-3-propargyl-1,3-benzothiazol-2-ylidene]-5-nitro-thiophene-2-carboxamide Formula: C16H11N3O3S3 MolecularWeight: 389.47184

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)[N+](=O)[O-])S2)CC#C

Isomeric SMILES

CSC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)[N+](=O)[O-])S2)CC#C

InChI

InChI=1S/C16H11N3O3S3/c1-3-8-18-11-5-4-10(23-2)9-13(11)25-16(18)17-15(20)12-6-7-14(24-12)19(21)22/h1,4-7,9H,8H2,2H3