1-(4-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(4-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one Openeye Name: 1-(p-tolyl)-2-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one CAS Name: 1-(4-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]thio]-1-propanone IUPAC Name: 1-(4-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one Traditional Name: 1-(p-tolyl)-2-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]thio]propan-1-one Formula: C18H19N3OS3 MolecularWeight: 389.55796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(S2)NCCC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(S2)NCCC3=CC=CS3

InChI

InChI=1S/C18H19N3OS3/c1-12-5-7-14(8-6-12)16(22)13(2)24-18-21-20-17(25-18)19-10-9-15-4-3-11-23-15/h3-8,11,13H,9-10H2,1-2H3,(H,19,20)