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

Systemtic Name: 3-[(2-methylphenyl)methylsulfanyl]-5-[(1-methylpyrrol-2-yl)methyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(1-methylpyrrol-2-yl)methyl]-5-(o-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(2-methylphenyl)methylthio]-5-[(1-methyl-2-pyrrolyl)methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-methylphenyl)methylsulfanyl]-5-[(1-methylpyrrol-2-yl)methyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-methylbenzyl)thio]-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Formula: C19H22N4S MolecularWeight: 338.46978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2CC=C)CC3=CC=CN3C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2CC=C)CC3=CC=CN3C

InChI

InChI=1S/C19H22N4S/c1-4-11-23-18(13-17-10-7-12-22(17)3)20-21-19(23)24-14-16-9-6-5-8-15(16)2/h4-10,12H,1,11,13-14H2,2-3H3