5-chloranyl-N-(2-methylprop-2-enyl)benzotriazole-1-carbothioamide

Systemtic Name: 5-chloranyl-N-(2-methylprop-2-enyl)benzotriazole-1-carbothioamide Openeye Name: 5-chloro-N-(2-methylallyl)benzotriazole-1-carbothioamide CAS Name: 5-chloro-N-(2-methylprop-2-enyl)-1-benzotriazolecarbothioamide IUPAC Name: 5-chloro-N-(2-methylprop-2-enyl)benzotriazole-1-carbothioamide Traditional Name: 5-chloro-N-(2-methylallyl)benzotriazole-1-carbothioamide Formula: C11H11ClN4S MolecularWeight: 266.74984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)N1C2=C(C=C(C=C2)Cl)N=N1

Isomeric SMILES

CC(=C)CNC(=S)N1C2=C(C=C(C=C2)Cl)N=N1

InChI

InChI=1S/C11H11ClN4S/c1-7(2)6-13-11(17)16-10-4-3-8(12)5-9(10)14-15-16/h3-5H,1,6H2,2H3,(H,13,17)