4-pentan-2-ylsulfanylbenzenecarbothioamide

Systemtic Name: 4-pentan-2-ylsulfanylbenzenecarbothioamide Openeye Name: 4-(1-methylbutylsulfanyl)benzenecarbothioamide CAS Name: 4-(pentan-2-ylthio)benzenecarbothioamide IUPAC Name: 4-pentan-2-ylsulfanylbenzenecarbothioamide Traditional Name: 4-(1-methylbutylthio)thiobenzamide Formula: C12H17NS2 MolecularWeight: 239.40008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)SC1=CC=C(C=C1)C(=S)N

Isomeric SMILES

CCCC(C)SC1=CC=C(C=C1)C(=S)N

InChI

InChI=1S/C12H17NS2/c1-3-4-9(2)15-11-7-5-10(6-8-11)12(13)14/h5-9H,3-4H2,1-2H3,(H2,13,14)