diethyl-[2-[4-oxidanylidene-7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonyl]-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[4-oxidanylidene-7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonyl]-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Openeye Name: diethyl-[2-[4-oxo-7-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium CAS Name: diethyl-[2-[4-oxo-7-[oxo-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[4-oxo-7-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Traditional Name: diethyl-[2-[4-keto-7-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium Formula: C26H31N4O2S+ MolecularWeight: 463.61494

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(=CC3)C4=CC=CC=C4)NC1=S

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(=CC3)C4=CC=CC=C4)NC1=S

InChI

InChI=1S/C26H30N4O2S/c1-3-28(4-2)16-17-30-25(32)22-11-10-21(18-23(22)27-26(30)33)24(31)29-14-12-20(13-15-29)19-8-6-5-7-9-19/h5-12,18H,3-4,13-17H2,1-2H3,(H,27,33)/p+1