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

Systemtic Name: 3-[(3-methylphenyl)methylsulfanyl]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(m-tolylmethylsulfanyl)-5-phenethyl-1,2,4-triazole CAS Name: 3-[(3-methylphenyl)methylthio]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3-methylphenyl)methylsulfanyl]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(3-methylbenzyl)thio]-5-phenethyl-1,2,4-triazole Formula: C21H23N3S MolecularWeight: 349.49242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3S/c1-3-14-24-20(13-12-18-9-5-4-6-10-18)22-23-21(24)25-16-19-11-7-8-17(2)15-19/h3-11,15H,1,12-14,16H2,2H3