2-methyl-5-[(E)-3-(phenylsulfonyl)prop-2-enyl]sulfanyl-1,3,4-thiadiazole

Systemtic Name: 2-methyl-5-[(E)-3-(phenylsulfonyl)prop-2-enyl]sulfanyl-1,3,4-thiadiazole Openeye Name: 2-[(E)-3-(benzenesulfonyl)allyl]sulfanyl-5-methyl-1,3,4-thiadiazole CAS Name: 2-[[(E)-3-(benzenesulfonyl)prop-2-enyl]thio]-5-methyl-1,3,4-thiadiazole IUPAC Name: 2-[(E)-3-(benzenesulfonyl)prop-2-enyl]sulfanyl-5-methyl-1,3,4-thiadiazole Traditional Name: 2-[[(E)-3-besylallyl]thio]-5-methyl-1,3,4-thiadiazole Formula: C12H12N2O2S3 MolecularWeight: 312.43088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC=CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=NN=C(S1)SC/C=C/S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H12N2O2S3/c1-10-13-14-12(18-10)17-8-5-9-19(15,16)11-6-3-2-4-7-11/h2-7,9H,8H2,1H3/b9-5+