N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide

Systemtic Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide Openeye Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide CAS Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide IUPAC Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide Traditional Name: N-(6-methyl-3-propargyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])S2)CC#C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])S2)CC#C

InChI

InChI=1S/C18H13N3O3S/c1-3-9-20-15-8-7-12(2)10-16(15)25-18(20)19-17(22)13-5-4-6-14(11-13)21(23)24/h1,4-8,10-11H,9H2,2H3