4-(3-chloranylpyridin-2-yl)-2-methyl-piperazine-1-carbothioic S-acid

Systemtic Name: 4-(3-chloranylpyridin-2-yl)-2-methyl-piperazine-1-carbothioic S-acid Openeye Name: 4-(3-chloro-2-pyridyl)-2-methyl-piperazine-1-carbothioic S-acid CAS Name: 4-(3-chloro-2-pyridinyl)-2-methyl-1-piperazinecarbothioic S-acid IUPAC Name: 4-(3-chloropyridin-2-yl)-2-methylpiperazine-1-carbothioic S-acid Traditional Name: 4-(3-chloro-2-pyridyl)-2-methyl-piperazine-1-carbothioic S-acid Formula: C11H14ClN3OS MolecularWeight: 271.76636

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)S)C2=C(C=CC=N2)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)S)C2=C(C=CC=N2)Cl

InChI

InChI=1S/C11H14ClN3OS/c1-8-7-14(5-6-15(8)11(16)17)10-9(12)3-2-4-13-10/h2-4,8H,5-7H2,1H3,(H,16,17)