2-chloranyl-4-(dimethylaminomethyl)-5-(2-nitrophenyl)sulfanyl-benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-(dimethylaminomethyl)-5-(2-nitrophenyl)sulfanyl-benzenecarbonitrile Openeye Name: 2-chloro-4-(dimethylaminomethyl)-5-(2-nitrophenyl)sulfanyl-benzonitrile CAS Name: 2-chloro-4-(dimethylaminomethyl)-5-[(2-nitrophenyl)thio]benzonitrile IUPAC Name: 2-chloro-4-(dimethylaminomethyl)-5-(2-nitrophenyl)sulfanylbenzonitrile Traditional Name: 2-chloro-4-(dimethylaminomethyl)-5-[(2-nitrophenyl)thio]benzonitrile Formula: C16H14ClN3O2S MolecularWeight: 347.81926

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=C(C(=C1)Cl)C#N)SC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=C(C=C(C(=C1)Cl)C#N)SC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H14ClN3O2S/c1-19(2)10-12-7-13(17)11(9-18)8-16(12)23-15-6-4-3-5-14(15)20(21)22/h3-8H,10H2,1-2H3