[2-tert-butyl-6-chloranyl-3-(phenylmethyl)benzimidazol-5-yl]carbamodithioic acid

Systemtic Name: [2-tert-butyl-6-chloranyl-3-(phenylmethyl)benzimidazol-5-yl]carbamodithioic acid Openeye Name: (3-benzyl-2-tert-butyl-6-chloro-benzimidazol-5-yl)carbamodithioic acid CAS Name: [2-tert-butyl-6-chloro-3-(phenylmethyl)-5-benzimidazolyl]carbamodithioic acid IUPAC Name: (3-benzyl-2-tert-butyl-6-chlorobenzimidazol-5-yl)carbamodithioic acid Traditional Name: (3-benzyl-2-tert-butyl-6-chloro-benzimidazol-5-yl)carbamodithioic acid Formula: C19H20ClN3S2 MolecularWeight: 389.9652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2N1CC3=CC=CC=C3)NC(=S)S)Cl

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2N1CC3=CC=CC=C3)NC(=S)S)Cl

InChI

InChI=1S/C19H20ClN3S2/c1-19(2,3)17-21-15-9-13(20)14(22-18(24)25)10-16(15)23(17)11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H2,22,24,25)