5-tert-butyl-2-methyl-benzenethiol; N,N-diethylethanamine; ethanenitrile

Systemtic Name: 5-tert-butyl-2-methyl-benzenethiol; N,N-diethylethanamine; ethanenitrile Openeye Name: acetonitrile; 5-tert-butyl-2-methyl-benzenethiol; N,N-diethylethanamine CAS Name: acetonitrile; 5-tert-butyl-2-methylbenzenethiol; N,N-diethylethanamine IUPAC Name: acetonitrile; 5-tert-butyl-2-methylbenzenethiol; N,N-diethylethanamine Traditional Name: acetonitrile; 5-tert-butyl-2-methyl-benzenethiol; triethylamine Formula: C19H34N2S MolecularWeight: 322.55166

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC#N.CC1=C(C=C(C=C1)C(C)(C)C)S

Isomeric SMILES

CCN(CC)CC.CC#N.CC1=C(C=C(C=C1)C(C)(C)C)S

InChI

InChI=1S/C11H16S.C6H15N.C2H3N/c1-8-5-6-9(7-10(8)12)11(2,3)4;1-4-7(5-2)6-3;1-2-3/h5-7,12H,1-4H3;4-6H2,1-3H3;1H3