(5-bromanylthiophen-2-yl)methyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]ammonium Formula: C15H15BrN3OS2+ MolecularWeight: 397.3331

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

C=CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C15H14BrN3OS2/c1-2-6-19(9-12-3-4-13(16)22-12)10-14(20)18-15-11(8-17)5-7-21-15/h2-5,7H,1,6,9-10H2,(H,18,20)/p+1