[azanyl-[(2-phenylsulfanylphenyl)amino]methylidene]-(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)azanium

Systemtic Name: [azanyl-[(2-phenylsulfanylphenyl)amino]methylidene]-(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)azanium Openeye Name: [amino-(2-phenylsulfanylanilino)methylene]-(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)ammonium CAS Name: [amino-[2-(phenylthio)anilino]methylidene]-(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)ammonium IUPAC Name: [amino-(2-phenylsulfanylanilino)methylidene]-(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)azanium Traditional Name: [amino-[2-(phenylthio)anilino]methylene]-(4-keto-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)ammonium Formula: C21H22N5OS+ MolecularWeight: 392.49728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N=C(N2)[NH+]=C(N)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=O)N=C(N2)[NH+]=C(N)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C21H21N5OS/c22-20(26-21-24-16-11-5-4-10-15(16)19(27)25-21)23-17-12-6-7-13-18(17)28-14-8-2-1-3-9-14/h1-3,6-9,12-13H,4-5,10-11H2,(H4,22,23,24,25,26,27)/p+1