3-(methanidylamino)-4-(phenylsulfanylmethyl)benzoic acid

Systemtic Name: 3-(methanidylamino)-4-(phenylsulfanylmethyl)benzoic acid Openeye Name: 3-(methanidylamino)-4-(phenylsulfanylmethyl)benzoic acid CAS Name: 3-(methanidylamino)-4-[(phenylthio)methyl]benzoic acid IUPAC Name: 3-(methanidylamino)-4-(phenylsulfanylmethyl)benzoic acid Traditional Name: 3-(methanidylamino)-4-[(phenylthio)methyl]benzoic acid Formula: C15H14NO2S- MolecularWeight: 272.34216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH2-]NC1=C(C=CC(=C1)C(=O)O)CSC2=CC=CC=C2

Isomeric SMILES

[CH2-]NC1=C(C=CC(=C1)C(=O)O)CSC2=CC=CC=C2

InChI

InChI=1S/C15H14NO2S/c1-16-14-9-11(15(17)18)7-8-12(14)10-19-13-5-3-2-4-6-13/h2-9,16H,1,10H2,(H,17,18)/q-1