2-[[4-azanyl-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-(4-bromophenyl)methylidene]propanedinitrile

Systemtic Name: 2-[[4-azanyl-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-(4-bromophenyl)methylidene]propanedinitrile Openeye Name: 2-[[2-(allylamino)-4-amino-thiazol-5-yl]-(4-bromophenyl)methylene]propanedinitrile CAS Name: 2-[[4-amino-2-(prop-2-enylamino)-5-thiazolyl]-(4-bromophenyl)methylidene]propanedinitrile IUPAC Name: 2-[[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-(4-bromophenyl)methylidene]propanedinitrile Traditional Name: 2-[[2-(allylamino)-4-amino-thiazol-5-yl]-(4-bromophenyl)methylene]malononitrile Formula: C16H12BrN5S MolecularWeight: 386.26898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN5S/c1-2-7-21-16-22-15(20)14(23-16)13(11(8-18)9-19)10-3-5-12(17)6-4-10/h2-6H,1,7,20H2,(H,21,22)