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

Systemtic Name: 1-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]-2-propanone IUPAC Name: 1-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]acetone Formula: C12H13N3OS2 MolecularWeight: 279.38112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3OS2/c1-9(16)8-17-12-15-14-11(18-12)13-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)