S-[(E)-3-oxidanylidene-3-(prop-2-ynylamino)prop-1-enyl] benzenecarbothioate

Systemtic Name: S-[(E)-3-oxidanylidene-3-(prop-2-ynylamino)prop-1-enyl] benzenecarbothioate Openeye Name: S-[(E)-3-oxo-3-(prop-2-ynylamino)prop-1-enyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(E)-3-oxo-3-(prop-2-ynylamino)prop-1-enyl] ester IUPAC Name: S-[(E)-3-oxo-3-(prop-2-ynylamino)prop-1-enyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(E)-3-keto-3-(propargylamino)prop-1-enyl] ester Formula: C13H11NO2S MolecularWeight: 245.29694

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C=CSC(=O)C1=CC=CC=C1

Isomeric SMILES

C#CCNC(=O)/C=C/SC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H11NO2S/c1-2-9-14-12(15)8-10-17-13(16)11-6-4-3-5-7-11/h1,3-8,10H,9H2,(H,14,15)/b10-8+