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

Systemtic Name: 3-[5-methyl-4-(4-methylphenyl)thiophen-3-yl]-5-[(2-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[5-methyl-4-(p-tolyl)-3-thienyl]-5-(o-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[5-methyl-4-(4-methylphenyl)-3-thiophenyl]-5-[(2-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[5-methyl-4-(4-methylphenyl)thiophen-3-yl]-5-[(2-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-methylbenzyl)thio]-5-[5-methyl-4-(p-tolyl)-3-thienyl]-1,2,4-triazole Formula: C25H25N3S2 MolecularWeight: 431.6161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2C3=NN=C(N3CC=C)SCC4=CC=CC=C4C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2C3=NN=C(N3CC=C)SCC4=CC=CC=C4C)C

InChI

InChI=1S/C25H25N3S2/c1-5-14-28-24(26-27-25(28)30-15-21-9-7-6-8-18(21)3)22-16-29-19(4)23(22)20-12-10-17(2)11-13-20/h5-13,16H,1,14-15H2,2-4H3