2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-5-nitro-benzonitrile CAS Name: 2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-5-nitrobenzonitrile IUPAC Name: 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-5-nitrobenzonitrile Traditional Name: 2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-5-nitro-benzonitrile Formula: C15H12ClN3O2S MolecularWeight: 333.79268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H12ClN3O2S/c1-2-7-18(10-13-4-6-15(16)22-13)14-5-3-12(19(20)21)8-11(14)9-17/h2-6,8H,1,7,10H2