3,3-dimethyl-1-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Openeye Name: 1-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 3,3-dimethyl-1-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]-2-butanone IUPAC Name: 1-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]-3,3-dimethyl-butan-2-one Formula: C15H19N3OS2 MolecularWeight: 321.46086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(S1)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(S1)NCC2=CC=CC=C2

InChI

InChI=1S/C15H19N3OS2/c1-15(2,3)12(19)10-20-14-18-17-13(21-14)16-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,17)