N-(phenylmethyl)-5-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(phenylmethyl)-5-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-benzyl-5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-(phenylmethyl)-5-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-benzyl-5-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: benzyl-[5-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C18H19N5O2S3 MolecularWeight: 433.57076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SC3=NN=C(S3)NCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SC3=NN=C(S3)NCC4=CC=CC=C4

InChI

InChI=1S/C18H19N5O2S3/c24-28(25,23-10-4-5-11-23)15-8-9-16(19-13-15)26-18-22-21-17(27-18)20-12-14-6-2-1-3-7-14/h1-3,6-9,13H,4-5,10-12H2,(H,20,21)