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

Systemtic Name: 4-methyl-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)-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-methyl-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-methyl-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]-4-methyl-3-pyrrolidinosulfonyl-benzamide Formula: C17H20N4O3S3 MolecularWeight: 424.5607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC=C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC=C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H20N4O3S3/c1-3-10-25-17-20-19-16(26-17)18-15(22)13-7-6-12(2)14(11-13)27(23,24)21-8-4-5-9-21/h3,6-7,11H,1,4-5,8-10H2,2H3,(H,18,19,22)