2-[[3-azanyl-4-cyano-5-(prop-2-enylamino)thiophen-2-yl]-phenyl-methylidene]propanedinitrile

Systemtic Name: 2-[[3-azanyl-4-cyano-5-(prop-2-enylamino)thiophen-2-yl]-phenyl-methylidene]propanedinitrile Openeye Name: 2-[[5-(allylamino)-3-amino-4-cyano-2-thienyl]-phenyl-methylene]propanedinitrile CAS Name: 2-[[3-amino-4-cyano-5-(prop-2-enylamino)-2-thiophenyl]-phenylmethylidene]propanedinitrile IUPAC Name: 2-[[3-amino-4-cyano-5-(prop-2-enylamino)thiophen-2-yl]-phenylmethylidene]propanedinitrile Traditional Name: 2-[[5-(allylamino)-3-amino-4-cyano-2-thienyl]-phenyl-methylene]malononitrile Formula: C18H13N5S MolecularWeight: 331.39432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N5S/c1-2-8-23-18-14(11-21)16(22)17(24-18)15(13(9-19)10-20)12-6-4-3-5-7-12/h2-7,23H,1,8,22H2