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

Systemtic Name: 3-[(2-methylphenyl)methylsulfanyl]-5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-benzyl-5-(o-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(2-methylphenyl)methylthio]-5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-benzyl-5-[(2-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-benzyl-5-[(2-methylbenzyl)thio]-1,2,4-triazole Formula: C20H21N3S MolecularWeight: 335.46584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2CC=C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2CC=C)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3S/c1-3-13-23-19(14-17-10-5-4-6-11-17)21-22-20(23)24-15-18-12-8-7-9-16(18)2/h3-12H,1,13-15H2,2H3