methyl N-(4-phenylazanylpyridin-3-yl)sulfonylcarbamodithioate

Systemtic Name: methyl N-(4-phenylazanylpyridin-3-yl)sulfonylcarbamodithioate Openeye Name: methyl N-[(4-anilino-3-pyridyl)sulfonyl]carbamodithioate CAS Name: N-[(4-anilino-3-pyridinyl)sulfonyl]carbamodithioic acid methyl ester IUPAC Name: methyl N-(4-anilinopyridin-3-yl)sulfonylcarbamodithioate Traditional Name: N-[(4-anilino-3-pyridyl)sulfonyl]carbamodithioic acid methyl ester Formula: C13H13N3O2S3 MolecularWeight: 339.45622

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC=C2

Isomeric SMILES

CSC(=S)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC=C2

InChI

InChI=1S/C13H13N3O2S3/c1-20-13(19)16-21(17,18)12-9-14-8-7-11(12)15-10-5-3-2-4-6-10/h2-9H,1H3,(H,14,15)(H,16,19)