4-[[2-methyl-1,1,4-tris(oxidanylidene)thiochromen-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-methyl-1,1,4-tris(oxidanylidene)thiochromen-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(2-methyl-1,1,4-trioxo-thiochromen-3-yl)methyl]benzonitrile CAS Name: 4-[(2-methyl-1,1,4-trioxo-1-benzothiopyran-3-yl)methyl]benzonitrile IUPAC Name: 4-[(2-methyl-1,1,4-trioxothiochromen-3-yl)methyl]benzonitrile Traditional Name: 4-[(1,1,4-triketo-2-methyl-thiochromen-3-yl)methyl]benzonitrile Formula: C18H13NO3S MolecularWeight: 323.36572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2S1(=O)=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2S1(=O)=O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H13NO3S/c1-12-16(10-13-6-8-14(11-19)9-7-13)18(20)15-4-2-3-5-17(15)23(12,21)22/h2-9H,10H2,1H3