5-azanyl-6-(4-bromophenyl)-4-oxidanylidene-2-(prop-2-enylamino)thiopyran-3-carbonitrile

Systemtic Name: 5-azanyl-6-(4-bromophenyl)-4-oxidanylidene-2-(prop-2-enylamino)thiopyran-3-carbonitrile Openeye Name: 2-(allylamino)-5-amino-6-(4-bromophenyl)-4-oxo-thiopyran-3-carbonitrile CAS Name: 5-amino-6-(4-bromophenyl)-4-oxo-2-(prop-2-enylamino)-3-thiopyrancarbonitrile IUPAC Name: 5-amino-6-(4-bromophenyl)-4-oxo-2-(prop-2-enylamino)thiopyran-3-carbonitrile Traditional Name: 2-(allylamino)-5-amino-6-(4-bromophenyl)-4-keto-thiopyran-3-carbonitrile Formula: C15H12BrN3OS MolecularWeight: 362.24428

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C(=O)C(=C(S1)C2=CC=C(C=C2)Br)N)C#N

Isomeric SMILES

C=CCNC1=C(C(=O)C(=C(S1)C2=CC=C(C=C2)Br)N)C#N

InChI

InChI=1S/C15H12BrN3OS/c1-2-7-19-15-11(8-17)13(20)12(18)14(21-15)9-3-5-10(16)6-4-9/h2-6,19H,1,7,18H2