N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-methyl-1-propan-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-methyl-1-propan-2-yl-pyrazole-3-carboxamide Openeye Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-isopropyl-5-methyl-pyrazole-3-carboxamide CAS Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-methyl-1-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide Traditional Name: N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-1-isopropyl-5-methyl-pyrazole-3-carboxamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=NN(C(=C3)C)C(C)C)S2)CC#C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=NN(C(=C3)C)C(C)C)S2)CC#C

InChI

InChI=1S/C20H22N4O2S/c1-6-10-23-17-9-8-15(26-7-2)12-18(17)27-20(23)21-19(25)16-11-14(5)24(22-16)13(3)4/h1,8-9,11-13H,7,10H2,2-5H3