N-[(4-methoxyphenyl)methyl]-5-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-[(4-methoxyphenyl)methyl]-5-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-[(4-methoxyphenyl)methyl]-5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-[(4-methoxyphenyl)methyl]-5-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-[(4-methoxyphenyl)methyl]-5-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: p-anisyl-[5-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C19H21N5O3S3 MolecularWeight: 463.59674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NN=C(S2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NN=C(S2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H21N5O3S3/c1-27-15-6-4-14(5-7-15)12-21-18-22-23-19(29-18)28-17-9-8-16(13-20-17)30(25,26)24-10-2-3-11-24/h4-9,13H,2-3,10-12H2,1H3,(H,21,22)