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

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-[(1-methylpyrrol-2-yl)methyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-chlorophenyl)methylsulfanyl]-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole CAS Name: 3-[(2-chlorophenyl)methylthio]-5-[(1-methyl-2-pyrrolyl)methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-[(1-methylpyrrol-2-yl)methyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-chlorobenzyl)thio]-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Formula: C18H19ClN4S MolecularWeight: 358.88826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=NN=C(N2CC=C)SCC3=CC=CC=C3Cl

Isomeric SMILES

CN1C=CC=C1CC2=NN=C(N2CC=C)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C18H19ClN4S/c1-3-10-23-17(12-15-8-6-11-22(15)2)20-21-18(23)24-13-14-7-4-5-9-16(14)19/h3-9,11H,1,10,12-13H2,2H3