2-carbamimidoylsulfanyl-2-[4-(2-cyanophenyl)phenyl]ethanoic acid

Systemtic Name: 2-carbamimidoylsulfanyl-2-[4-(2-cyanophenyl)phenyl]ethanoic acid Openeye Name: 2-carbamimidoylsulfanyl-2-[4-(2-cyanophenyl)phenyl]acetic acid CAS Name: 2-(carbamimidoylthio)-2-[4-(2-cyanophenyl)phenyl]acetic acid IUPAC Name: 2-carbamimidoylsulfanyl-2-[4-(2-cyanophenyl)phenyl]acetic acid Traditional Name: 2-(amidinothio)-2-[4-(2-cyanophenyl)phenyl]acetic acid Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)C(C(=O)O)SC(=N)N

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)C(C(=O)O)SC(=N)N

InChI

InChI=1S/C16H13N3O2S/c17-9-12-3-1-2-4-13(12)10-5-7-11(8-6-10)14(15(20)21)22-16(18)19/h1-8,14H,(H3,18,19)(H,20,21)