5-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Openeye Name: N-allyl-5-[(3-chloro-4-methyl-2-quinolyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(3-chloro-4-methyl-2-quinolinyl)methylthio]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(3-chloro-4-methylquinolin-2-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Traditional Name: allyl-[5-[(3-chloro-4-methyl-2-quinolyl)methylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C16H15ClN4S2 MolecularWeight: 362.9001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(S3)NCC=C)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(S3)NCC=C)Cl

InChI

InChI=1S/C16H15ClN4S2/c1-3-8-18-15-20-21-16(23-15)22-9-13-14(17)10(2)11-6-4-5-7-12(11)19-13/h3-7H,1,8-9H2,2H3,(H,18,20)