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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3OS2/c1-17(2,3)13-8-6-12(7-9-13)14(21)18-15-19-20-16(23-15)22-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3,(H,18,19,21)