2-azanyl-6-(4-methoxyphenyl)-4-methylsulfanyl-3-nitro-benzenecarbonitrile

Systemtic Name: 2-azanyl-6-(4-methoxyphenyl)-4-methylsulfanyl-3-nitro-benzenecarbonitrile Openeye Name: 2-amino-6-(4-methoxyphenyl)-4-methylsulfanyl-3-nitro-benzonitrile CAS Name: 2-amino-6-(4-methoxyphenyl)-4-(methylthio)-3-nitrobenzonitrile IUPAC Name: 2-amino-6-(4-methoxyphenyl)-4-methylsulfanyl-3-nitrobenzonitrile Traditional Name: 2-amino-6-(4-methoxyphenyl)-4-(methylthio)-3-nitro-benzonitrile Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=C(C(=C2C#N)N)[N+](=O)[O-])SC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=C(C(=C2C#N)N)[N+](=O)[O-])SC

InChI

InChI=1S/C15H13N3O3S/c1-21-10-5-3-9(4-6-10)11-7-13(22-2)15(18(19)20)14(17)12(11)8-16/h3-7H,17H2,1-2H3