1-[5-(7-chloranylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(pyridin-3-ylmethyl)urea

Systemtic Name: 1-[5-(7-chloranylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(pyridin-3-ylmethyl)urea Openeye Name: 1-[5-[(7-chloro-4-quinolyl)sulfanyl]-1,3,4-thiadiazol-2-yl]-3-(3-pyridylmethyl)urea CAS Name: 1-[5-[(7-chloro-4-quinolinyl)thio]-1,3,4-thiadiazol-2-yl]-3-(3-pyridinylmethyl)urea IUPAC Name: 1-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(pyridin-3-ylmethyl)urea Traditional Name: 1-[5-[(7-chloro-4-quinolyl)thio]-1,3,4-thiadiazol-2-yl]-3-(3-pyridylmethyl)urea Formula: C18H13ClN6OS2 MolecularWeight: 428.91842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)NC2=NN=C(S2)SC3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)NC2=NN=C(S2)SC3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C18H13ClN6OS2/c19-12-3-4-13-14(8-12)21-7-5-15(13)27-18-25-24-17(28-18)23-16(26)22-10-11-2-1-6-20-9-11/h1-9H,10H2,(H2,22,23,24,26)