4-butyl-N-[5-(cyclopropylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-butyl-N-[5-(cyclopropylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-butyl-N-[5-(cyclopropylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-butyl-N-[5-(cyclopropylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-butyl-N-[5-(cyclopropylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-butyl-N-[5-(cyclopropylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H21N3OS2 MolecularWeight: 347.49814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3CC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3CC3

InChI

InChI=1S/C17H21N3OS2/c1-2-3-4-12-7-9-14(10-8-12)15(21)18-16-19-20-17(23-16)22-11-13-5-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,19,21)