4-[3-azanyl-4-bromanyl-5-(prop-2-enylamino)thiophen-2-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[3-azanyl-4-bromanyl-5-(prop-2-enylamino)thiophen-2-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[5-(allylamino)-3-amino-4-bromo-thiophene-2-carbonyl]benzonitrile CAS Name: 4-[[3-amino-4-bromo-5-(prop-2-enylamino)-2-thiophenyl]-oxomethyl]benzonitrile IUPAC Name: 4-[3-amino-4-bromo-5-(prop-2-enylamino)thiophene-2-carbonyl]benzonitrile Traditional Name: 4-[5-(allylamino)-3-amino-4-bromo-thiophene-2-carbonyl]benzonitrile Formula: C15H12BrN3OS MolecularWeight: 362.24428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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