2-azanyl-4-[4-[2,5-bis(azanyl)phenyl]thiophen-2-yl]-3-methyl-benzoic acid

Systemtic Name: 2-azanyl-4-[4-[2,5-bis(azanyl)phenyl]thiophen-2-yl]-3-methyl-benzoic acid Openeye Name: 2-amino-4-[4-(2,5-diaminophenyl)-2-thienyl]-3-methyl-benzoic acid CAS Name: 2-amino-4-[4-(2,5-diaminophenyl)-2-thiophenyl]-3-methylbenzoic acid IUPAC Name: 2-amino-4-[4-(2,5-diaminophenyl)thiophen-2-yl]-3-methylbenzoic acid Traditional Name: 2-amino-4-[4-(2,5-diaminophenyl)-2-thienyl]-3-methyl-benzoic acid Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1N)C(=O)O)C2=CC(=CS2)C3=C(C=CC(=C3)N)N

Isomeric SMILES

CC1=C(C=CC(=C1N)C(=O)O)C2=CC(=CS2)C3=C(C=CC(=C3)N)N

InChI

InChI=1S/C18H17N3O2S/c1-9-12(3-4-13(17(9)21)18(22)23)16-6-10(8-24-16)14-7-11(19)2-5-15(14)20/h2-8H,19-21H2,1H3,(H,22,23)