N-[4-(4-butanoyloxyphenyl)-3,5-dicyano-6-sulfanylidene-1H-pyridin-2-yl]butanimidate

Systemtic Name: N-[4-(4-butanoyloxyphenyl)-3,5-dicyano-6-sulfanylidene-1H-pyridin-2-yl]butanimidate Openeye Name: N-[4-(4-butanoyloxyphenyl)-3,5-dicyano-6-thioxo-1H-pyridin-2-yl]butanimidate CAS Name: N-[3,5-dicyano-4-[4-(1-oxobutoxy)phenyl]-6-sulfanylidene-1H-pyridin-2-yl]butanimidate IUPAC Name: N-[4-(4-butanoyloxyphenyl)-3,5-dicyano-6-sulfanylidene-1H-pyridin-2-yl]butanimidate Traditional Name: N-[4-(4-butyryloxyphenyl)-3,5-dicyano-6-thioxo-1H-pyridin-2-yl]butyrimidate Formula: C21H19N4O3S- MolecularWeight: 407.46556

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NC1=C(C(=C(C(=S)N1)C#N)C2=CC=C(C=C2)OC(=O)CCC)C#N)[O-]

Isomeric SMILES

CCCC(=NC1=C(C(=C(C(=S)N1)C#N)C2=CC=C(C=C2)OC(=O)CCC)C#N)[O-]

InChI

InChI=1S/C21H20N4O3S/c1-3-5-17(26)24-20-15(11-22)19(16(12-23)21(29)25-20)13-7-9-14(10-8-13)28-18(27)6-4-2/h7-10H,3-6H2,1-2H3,(H2,24,25,26,29)/p-1