[4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[[5-(propylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[[5-(propylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C17H22N4OS2 MolecularWeight: 362.51278

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CCCNC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C17H22N4OS2/c1-2-9-18-16-19-20-17(24-16)23-12-13-5-7-14(8-6-13)15(22)21-10-3-4-11-21/h5-8H,2-4,9-12H2,1H3,(H,18,19)