1-(phenylsulfonyl)-2-prop-2-ynyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine

Systemtic Name: 1-(phenylsulfonyl)-2-prop-2-ynyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine Openeye Name: 1-(benzenesulfonyl)-2-prop-2-ynyl-1-[2-(thiazol-2-ylmethylsulfanyl)ethyl]guanidine CAS Name: 1-(benzenesulfonyl)-2-prop-2-ynyl-1-[2-(2-thiazolylmethylthio)ethyl]guanidine IUPAC Name: 1-(benzenesulfonyl)-2-prop-2-ynyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine Traditional Name: 1-besyl-2-propargyl-1-[2-(thiazol-2-ylmethylthio)ethyl]guanidine Formula: C16H18N4O2S3 MolecularWeight: 394.53472

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN=C(N)N(CCSCC1=NC=CS1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C#CCN=C(N)N(CCSCC1=NC=CS1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H18N4O2S3/c1-2-8-19-16(17)20(10-12-23-13-15-18-9-11-24-15)25(21,22)14-6-4-3-5-7-14/h1,3-7,9,11H,8,10,12-13H2,(H2,17,19)