4-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(5-chloro-2-thienyl)methyl-methyl-amino]-3-nitro-benzonitrile CAS Name: 4-[(5-chloro-2-thiophenyl)methyl-methylamino]-3-nitrobenzonitrile IUPAC Name: 4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-nitrobenzonitrile Traditional Name: 4-[(5-chloro-2-thienyl)methyl-methyl-amino]-3-nitro-benzonitrile Formula: C13H10ClN3O2S MolecularWeight: 307.7554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClN3O2S/c1-16(8-10-3-5-13(14)20-10)11-4-2-9(7-15)6-12(11)17(18)19/h2-6H,8H2,1H3