(4S,8E)-2-methylsulfanyl-4-phenyl-8-(phenylmethylidene)-4,5,6,7-tetrahydro-1H-quinazolin-3-ium

Systemtic Name: (4S,8E)-2-methylsulfanyl-4-phenyl-8-(phenylmethylidene)-4,5,6,7-tetrahydro-1H-quinazolin-3-ium Openeye Name: (4S,8E)-8-benzylidene-2-methylsulfanyl-4-phenyl-4,5,6,7-tetrahydro-1H-quinazolin-3-ium CAS Name: (4S,8E)-2-(methylthio)-4-phenyl-8-(phenylmethylene)-4,5,6,7-tetrahydro-1H-quinazolin-3-ium IUPAC Name: (4S,8E)-8-benzylidene-2-methylsulfanyl-4-phenyl-4,5,6,7-tetrahydro-1H-quinazolin-3-ium Traditional Name: (4S,8E)-8-benzal-2-(methylthio)-4-phenyl-4,5,6,7-tetrahydro-1H-quinazolin-3-ium Formula: C22H23N2S+ MolecularWeight: 347.49642

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=[NH+]C(C2=C(N1)C(=CC3=CC=CC=C3)CCC2)C4=CC=CC=C4

Isomeric SMILES

CSC1=[NH+][C@H](C2=C(N1)/C(=C/C3=CC=CC=C3)/CCC2)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2S/c1-25-22-23-20(17-11-6-3-7-12-17)19-14-8-13-18(21(19)24-22)15-16-9-4-2-5-10-16/h2-7,9-12,15,20H,8,13-14H2,1H3,(H,23,24)/p+1/b18-15+/t20-/m0/s1