sodium 2-azanyl-2-[4-chloranyl-3-(4-methylphenyl)carbothioyl-phenyl]ethanoic acid

Systemtic Name: sodium 2-azanyl-2-[4-chloranyl-3-(4-methylphenyl)carbothioyl-phenyl]ethanoic acid Openeye Name: sodium 2-amino-2-[4-chloro-3-(4-methylbenzenecarbothioyl)phenyl]acetic acid CAS Name: sodium 2-amino-2-[4-chloro-3-[(4-methylphenyl)-sulfanylidenemethyl]phenyl]acetic acid IUPAC Name: sodium 2-amino-2-[4-chloro-3-(4-methylbenzenecarbothioyl)phenyl]acetic acid Traditional Name: sodium 2-amino-2-[4-chloro-3-(4-methylthiobenzoyl)phenyl]acetic acid Formula: C16H14ClNNaO2S+ MolecularWeight: 342.79563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=C(C=CC(=C2)C(C(=O)O)N)Cl.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=C(C=CC(=C2)C(C(=O)O)N)Cl.[Na+]

InChI

InChI=1S/C16H14ClNO2S.Na/c1-9-2-4-10(5-3-9)15(21)12-8-11(6-7-13(12)17)14(18)16(19)20;/h2-8,14H,18H2,1H3,(H,19,20);/q;+1