(2-tert-butyl-5-chloranyl-1,3-benzothiazol-6-yl)carbamodithioic acid

Systemtic Name: (2-tert-butyl-5-chloranyl-1,3-benzothiazol-6-yl)carbamodithioic acid Openeye Name: (2-tert-butyl-5-chloro-1,3-benzothiazol-6-yl)carbamodithioic acid CAS Name: (2-tert-butyl-5-chloro-1,3-benzothiazol-6-yl)carbamodithioic acid IUPAC Name: (2-tert-butyl-5-chloro-1,3-benzothiazol-6-yl)carbamodithioic acid Traditional Name: (2-tert-butyl-5-chloro-1,3-benzothiazol-6-yl)carbamodithioic acid Formula: C12H13ClN2S3 MolecularWeight: 316.89302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2S1)NC(=S)S)Cl

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2S1)NC(=S)S)Cl

InChI

InChI=1S/C12H13ClN2S3/c1-12(2,3)10-14-8-4-6(13)7(15-11(16)17)5-9(8)18-10/h4-5H,1-3H3,(H2,15,16,17)