3-ethoxy-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-propoxy-benzenecarboximidate

Systemtic Name: 3-ethoxy-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-propoxy-benzenecarboximidate Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-ethoxy-4-propoxy-benzenecarboximidate CAS Name: 3-ethoxy-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-4-propoxybenzenecarboximidate IUPAC Name: 3-ethoxy-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-propoxybenzenecarboximidate Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-ethoxy-4-propoxy-benzenecarboximidate Formula: C21H24N5O3S2- MolecularWeight: 458.57696

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C)[O-])OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C)[O-])OCC

InChI

InChI=1S/C21H25N5O3S2/c1-5-10-26-18(24-25-21(26)30)17-13(4)22-20(31-17)23-19(27)14-8-9-15(29-11-6-2)16(12-14)28-7-3/h5,8-9,12H,1,6-7,10-11H2,2-4H3,(H,25,30)(H,22,23,27)/p-1