N-(2-phenylsulfanylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Systemtic Name: N-(2-phenylsulfanylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Openeye Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide CAS Name: N-[2-(phenylthio)phenyl]-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]propanamide IUPAC Name: N-(2-phenylsulfanylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Traditional Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]-N-[2-(phenylthio)phenyl]propionamide Formula: C20H20N4OS3 MolecularWeight: 428.594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)SC3=NN=C(S3)NCC=C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)SC3=NN=C(S3)NCC=C

InChI

InChI=1S/C20H20N4OS3/c1-3-13-21-19-23-24-20(28-19)26-14(2)18(25)22-16-11-7-8-12-17(16)27-15-9-5-4-6-10-15/h3-12,14H,1,13H2,2H3,(H,21,23)(H,22,25)