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

Systemtic Name: 1-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 3,3-dimethyl-1-[[5-(p-anisylamino)-1,3,4-thiadiazol-2-yl]thio]butan-2-one Formula: C16H21N3O2S2 MolecularWeight: 351.48684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2S2/c1-16(2,3)13(20)10-22-15-19-18-14(23-15)17-9-11-5-7-12(21-4)8-6-11/h5-8H,9-10H2,1-4H3,(H,17,18)