N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide

Systemtic Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide Openeye Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide CAS Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide IUPAC Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide Traditional Name: N-(6-methyl-3-propargyl-1,3-benzothiazol-2-ylidene)-4-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=C(C=C3)[N+](=O)[O-])S2)CC#C

Isomeric SMILES

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

InChI

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