N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-chlorophenyl)-5-propan-2-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-chlorophenyl)-5-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-chlorophenyl)-5-isopropyl-triazole-4-carboxamide CAS Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)-5-propan-2-yl-4-triazolecarboxamide IUPAC Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-chlorophenyl)-5-propan-2-yltriazole-4-carboxamide Traditional Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)-5-isopropyl-triazole-4-carboxamide Formula: C18H21ClN6OS2 MolecularWeight: 436.98194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)NC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)Cl)C(C)C

Isomeric SMILES

CCCCSC1=NN=C(S1)NC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)Cl)C(C)C

InChI

InChI=1S/C18H21ClN6OS2/c1-4-5-10-27-18-23-22-17(28-18)20-16(26)14-15(11(2)3)25(24-21-14)13-8-6-12(19)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,20,22,26)