N-(2-chloranyl-5-nitro-phenyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-methyl-2-pyrrolidin-1-yl-thiazole-5-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-methyl-2-(1-pyrrolidinyl)-5-thiazolecarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-methyl-2-pyrrolidino-thiazole-5-carbothioamide Formula: C15H15ClN4O2S2 MolecularWeight: 382.8882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2CCCC2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(SC(=N1)N2CCCC2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H15ClN4O2S2/c1-9-13(24-15(17-9)19-6-2-3-7-19)14(23)18-12-8-10(20(21)22)4-5-11(12)16/h4-5,8H,2-3,6-7H2,1H3,(H,18,23)