2-azanyl-4-(4-methylsulfonylphenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-methylsulfonylphenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile Openeye Name: 2-amino-4-(4-methylsulfonylphenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile CAS Name: 2-amino-4-(4-methylsulfonylphenyl)-5,6-dihydro-4H-benzo[h][1]benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(4-methylsulfonylphenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile Traditional Name: 2-amino-4-(4-mesylphenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)OC(=C2C#N)N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)OC(=C2C#N)N

InChI

InChI=1S/C21H18N2O3S/c1-27(24,25)15-9-6-14(7-10-15)19-17-11-8-13-4-2-3-5-16(13)20(17)26-21(23)18(19)12-22/h2-7,9-10,19H,8,11,23H2,1H3