N-[(2S)-6-methylheptan-2-yl]benzotriazole-1-carbothioamide

Systemtic Name: N-[(2S)-6-methylheptan-2-yl]benzotriazole-1-carbothioamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]benzotriazole-1-carbothioamide CAS Name: N-[(2S)-6-methylheptan-2-yl]-1-benzotriazolecarbothioamide IUPAC Name: N-[(2S)-6-methylheptan-2-yl]benzotriazole-1-carbothioamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]benzotriazole-1-carbothioamide Formula: C15H22N4S MolecularWeight: 290.42698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=S)N1C2=CC=CC=C2N=N1

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=S)N1C2=CC=CC=C2N=N1

InChI

InChI=1S/C15H22N4S/c1-11(2)7-6-8-12(3)16-15(20)19-14-10-5-4-9-13(14)17-18-19/h4-5,9-12H,6-8H2,1-3H3,(H,16,20)/t12-/m0/s1