4-azanyl-5-(4-bromophenyl)carbonyl-2-(prop-2-enylamino)thiophene-3-carbonitrile

Systemtic Name: 4-azanyl-5-(4-bromophenyl)carbonyl-2-(prop-2-enylamino)thiophene-3-carbonitrile Openeye Name: 2-(allylamino)-4-amino-5-(4-bromobenzoyl)thiophene-3-carbonitrile CAS Name: 4-amino-5-[(4-bromophenyl)-oxomethyl]-2-(prop-2-enylamino)-3-thiophenecarbonitrile IUPAC Name: 4-amino-5-(4-bromobenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile Traditional Name: 2-(allylamino)-4-amino-5-(4-bromobenzoyl)thiophene-3-carbonitrile 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)Br)N)C#N

Isomeric SMILES

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

InChI

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