3-[(4-chlorophenyl)methylsulfanyl]-4-methyl-5-(5-propylthiophen-3-yl)-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-methyl-5-(5-propylthiophen-3-yl)-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-methyl-5-(5-propyl-3-thienyl)-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-4-methyl-5-(5-propyl-3-thiophenyl)-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-methyl-5-(5-propylthiophen-3-yl)-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-4-methyl-5-(5-propyl-3-thienyl)-1,2,4-triazole Formula: C17H18ClN3S2 MolecularWeight: 363.92792

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CS1)C2=NN=C(N2C)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC1=CC(=CS1)C2=NN=C(N2C)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H18ClN3S2/c1-3-4-15-9-13(11-22-15)16-19-20-17(21(16)2)23-10-12-5-7-14(18)8-6-12/h5-9,11H,3-4,10H2,1-2H3