3-azanyl-4-[2-(methylaminomethyl)phenyl]sulfanyl-benzenecarbonitrile

Systemtic Name: 3-azanyl-4-[2-(methylaminomethyl)phenyl]sulfanyl-benzenecarbonitrile Openeye Name: 3-amino-4-[2-(methylaminomethyl)phenyl]sulfanyl-benzonitrile CAS Name: 3-amino-4-[[2-(methylaminomethyl)phenyl]thio]benzonitrile IUPAC Name: 3-amino-4-[2-(methylaminomethyl)phenyl]sulfanylbenzonitrile Traditional Name: 3-amino-4-[[2-(methylaminomethyl)phenyl]thio]benzonitrile Formula: C15H15N3S MolecularWeight: 269.3647

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=CC=C1SC2=C(C=C(C=C2)C#N)N

Isomeric SMILES

CNCC1=CC=CC=C1SC2=C(C=C(C=C2)C#N)N

InChI

InChI=1S/C15H15N3S/c1-18-10-12-4-2-3-5-14(12)19-15-7-6-11(9-16)8-13(15)17/h2-8,18H,10,17H2,1H3