4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-butan-1-one

Systemtic Name: 4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-phenyl-1-butanone IUPAC Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-phenyl-butan-1-one Formula: C12H13N3OS2 MolecularWeight: 279.38112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCSC2=NN=C(S2)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCSC2=NN=C(S2)N

InChI

InChI=1S/C12H13N3OS2/c13-11-14-15-12(18-11)17-8-4-7-10(16)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,13,14)