N,N-diethylethanamine; pyridin-4-ylmethylcarbamodithioic acid

Systemtic Name: N,N-diethylethanamine; pyridin-4-ylmethylcarbamodithioic acid Openeye Name: N,N-diethylethanamine; 4-pyridylmethylcarbamodithioic acid CAS Name: N,N-diethylethanamine; pyridin-4-ylmethylcarbamodithioic acid IUPAC Name: N,N-diethylethanamine; pyridin-4-ylmethylcarbamodithioic acid Traditional Name: 4-pyridylmethylcarbamodithioic acid; triethylamine Formula: C13H23N3S2 MolecularWeight: 285.47182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CN=CC=C1CNC(=S)S

Isomeric SMILES

CCN(CC)CC.C1=CN=CC=C1CNC(=S)S

InChI

InChI=1S/C7H8N2S2.C6H15N/c10-7(11)9-5-6-1-3-8-4-2-6;1-4-7(5-2)6-3/h1-4H,5H2,(H2,9,10,11);4-6H2,1-3H3