3-(3-chlorophenyl)-N2-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine

Systemtic Name: 3-(3-chlorophenyl)-N2-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine Openeye Name: 3-(3-chlorophenyl)-N2-[5-(6-isoquinolyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine CAS Name: 3-(3-chlorophenyl)-N2-[5-(6-isoquinolinyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine IUPAC Name: 3-(3-chlorophenyl)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine Traditional Name: [1-(aminomethyl)-2-(3-chlorophenyl)ethyl]-[5-(6-isoquinolyl)-1,3,4-thiadiazol-2-yl]amine Formula: C20H18ClN5S MolecularWeight: 395.90842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CC(CN)NC2=NN=C(S2)C3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CC(CN)NC2=NN=C(S2)C3=CC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C20H18ClN5S/c21-17-3-1-2-13(8-17)9-18(11-22)24-20-26-25-19(27-20)15-4-5-16-12-23-7-6-14(16)10-15/h1-8,10,12,18H,9,11,22H2,(H,24,26)