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

Systemtic Name: 3,4-diethoxy-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]benzenecarboximidate Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3,4-diethoxy-benzenecarboximidate CAS Name: 3,4-diethoxy-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]benzenecarboximidate IUPAC Name: 3,4-diethoxy-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]benzenecarboximidate Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3,4-diethoxy-benzenecarboximidate Formula: C20H22N5O3S2- MolecularWeight: 444.55038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C)[O-])OCC

InChI

InChI=1S/C20H23N5O3S2/c1-5-10-25-17(23-24-20(25)29)16-12(4)21-19(30-16)22-18(26)13-8-9-14(27-6-2)15(11-13)28-7-3/h5,8-9,11H,1,6-7,10H2,2-4H3,(H,24,29)(H,21,22,26)/p-1