1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one Openeye Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C20H20N4OS2 MolecularWeight: 396.529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NN=C(S3)NC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NN=C(S3)NC4=CC=CC=C4

InChI

InChI=1S/C20H20N4OS2/c1-14(18(25)24-12-11-15-7-5-6-8-16(15)13-24)26-20-23-22-19(27-20)21-17-9-3-2-4-10-17/h2-10,14H,11-13H2,1H3,(H,21,22)