diethyl-[2-[3-(4-methoxyphenyl)-4-sulfanylidene-quinazolin-2-yl]sulfanylethyl]-methyl-azanium

Systemtic Name: diethyl-[2-[3-(4-methoxyphenyl)-4-sulfanylidene-quinazolin-2-yl]sulfanylethyl]-methyl-azanium Openeye Name: diethyl-[2-[3-(4-methoxyphenyl)-4-thioxo-quinazolin-2-yl]sulfanylethyl]-methyl-ammonium CAS Name: diethyl-[2-[[3-(4-methoxyphenyl)-4-sulfanylidene-2-quinazolinyl]thio]ethyl]-methylammonium IUPAC Name: diethyl-[2-[3-(4-methoxyphenyl)-4-sulfanylidenequinazolin-2-yl]sulfanylethyl]-methylazanium Traditional Name: diethyl-[2-[[3-(4-methoxyphenyl)-4-thioxo-quinazolin-2-yl]thio]ethyl]-methyl-ammonium Formula: C22H28N3OS2+ MolecularWeight: 414.60722

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCSC1=NC2=CC=CC=C2C(=S)N1C3=CC=C(C=C3)OC

Isomeric SMILES

CC[N+](C)(CC)CCSC1=NC2=CC=CC=C2C(=S)N1C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N3OS2/c1-5-25(3,6-2)15-16-28-22-23-20-10-8-7-9-19(20)21(27)24(22)17-11-13-18(26-4)14-12-17/h7-14H,5-6,15-16H2,1-4H3/q+1