4-[2-(hydroxymethyl)phenyl]sulfanyl-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[2-(hydroxymethyl)phenyl]sulfanyl-3-nitro-benzenecarbonitrile Openeye Name: 4-[2-(hydroxymethyl)phenyl]sulfanyl-3-nitro-benzonitrile CAS Name: 4-[[2-(hydroxymethyl)phenyl]thio]-3-nitrobenzonitrile IUPAC Name: 4-[2-(hydroxymethyl)phenyl]sulfanyl-3-nitrobenzonitrile Traditional Name: 4-[(2-methylolphenyl)thio]-3-nitro-benzonitrile Formula: C14H10N2O3S MolecularWeight: 286.3058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CO)SC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CO)SC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O3S/c15-8-10-5-6-14(12(7-10)16(18)19)20-13-4-2-1-3-11(13)9-17/h1-7,17H,9H2