dimethyl-[3-[2-(4-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium

Systemtic Name: dimethyl-[3-[2-(4-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium Openeye Name: dimethyl-[3-[2-(4-nitrophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]ammonium CAS Name: dimethyl-[3-[2-(4-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]ammonium IUPAC Name: dimethyl-[3-[2-(4-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium Traditional Name: dimethyl-[3-[2-(4-nitrophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]ammonium Formula: C19H25N4O2S+ MolecularWeight: 373.4924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C2=C(CCCC2)C(=S)N=C1C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCCN1C2=C(CCCC2)C(=S)N=C1C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O2S/c1-21(2)12-5-13-22-17-7-4-3-6-16(17)19(26)20-18(22)14-8-10-15(11-9-14)23(24)25/h8-11H,3-7,12-13H2,1-2H3/p+1