2-oxidanylpropane-1,2,3-tricarboxylate; N-prop-2-enyl-2-pyridin-2-yl-ethanethioamide

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; N-prop-2-enyl-2-pyridin-2-yl-ethanethioamide Openeye Name: N-allyl-2-(2-pyridyl)thioacetamide citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; N-prop-2-enyl-2-(2-pyridinyl)ethanethioamide IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; N-prop-2-enyl-2-pyridin-2-ylethanethioamide Traditional Name: N-allyl-2-(2-pyridyl)thioacetamide citrate Formula: C16H17N2O7S-3 MolecularWeight: 381.38038

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)CC1=CC=CC=N1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C=CCNC(=S)CC1=CC=CC=N1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C10H12N2S.C6H8O7/c1-2-6-12-10(13)8-9-5-3-4-7-11-9;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-5,7H,1,6,8H2,(H,12,13);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3