N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C16H18N4O3S3 MolecularWeight: 410.53412

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H18N4O3S3/c1-2-10-24-16-19-18-15(25-16)17-14(21)12-6-5-7-13(11-12)26(22,23)20-8-3-4-9-20/h2,5-7,11H,1,3-4,8-10H2,(H,17,18,21)