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

Systemtic Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,4-dipropoxy-benzenecarboximidate Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3,4-dipropoxy-benzenecarboximidate CAS Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-3,4-dipropoxybenzenecarboximidate IUPAC Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,4-dipropoxybenzenecarboximidate Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3,4-dipropoxy-benzenecarboximidate Formula: C22H26N5O3S2- MolecularWeight: 472.60354

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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-])OCCC

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O3S2/c1-5-10-27-19(25-26-22(27)31)18-14(4)23-21(32-18)24-20(28)15-8-9-16(29-11-6-2)17(13-15)30-12-7-3/h5,8-9,13H,1,6-7,10-12H2,2-4H3,(H,26,31)(H,23,24,28)/p-1