2-(4-bromophenyl)sulfonyl-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

Systemtic Name: 2-(4-bromophenyl)sulfonyl-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile Openeye Name: 2-(4-bromophenyl)sulfonyl-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile CAS Name: 2-(4-bromophenyl)sulfonyl-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenenitrile IUPAC Name: 2-(4-bromophenyl)sulfonyl-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile Traditional Name: 2-brosyl-3-[2-(4-tert-butylphenoxy)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]acrylonitrile Formula: C28H24BrN3O4S MolecularWeight: 578.47686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Br)OC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Br)OC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H24BrN3O4S/c1-18-6-5-15-32-25(18)31-26(36-21-11-7-19(8-12-21)28(2,3)4)24(27(32)33)16-23(17-30)37(34,35)22-13-9-20(29)10-14-22/h5-16H,1-4H3