3-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]pentane-2,4-dione

Systemtic Name: 3-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]pentane-2,4-dione Openeye Name: 3-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentane-2,4-dione CAS Name: 3-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]pentane-2,4-dione IUPAC Name: 3-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentane-2,4-dione Traditional Name: 3-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]pentane-2,4-dione Formula: C14H15N3O2S2 MolecularWeight: 321.4178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NN=C(S1)NCC2=CC=CC=C2

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NN=C(S1)NCC2=CC=CC=C2

InChI

InChI=1S/C14H15N3O2S2/c1-9(18)12(10(2)19)20-14-17-16-13(21-14)15-8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3,(H,15,16)