(phenylmethylsulfanyl) carbamimidate; prop-2-ynoic acid

Systemtic Name: (phenylmethylsulfanyl) carbamimidate; prop-2-ynoic acid Openeye Name: 2-benzylsulfanylisourea; prop-2-ynoic acid CAS Name: phenylmethanesulfenic acid carbamimidoyl ester; 2-propynoic acid IUPAC Name: benzylsulfanyl carbamimidate; prop-2-ynoic acid Traditional Name: 2-(benzylthio)isourea; propiolic acid Formula: C11H12N2O3S MolecularWeight: 252.28958

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(=O)O.C1=CC=C(C=C1)CSOC(=N)N

Isomeric SMILES

C#CC(=O)O.C1=CC=C(C=C1)CSOC(=N)N

InChI

InChI=1S/C8H10N2OS.C3H2O2/c9-8(10)11-12-6-7-4-2-1-3-5-7;1-2-3(4)5/h1-5H,6H2,(H3,9,10);1H,(H,4,5)