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

Systemtic Name: 3-cyclopentyl-5-[(2-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-cyclopentyl-5-(o-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-cyclopentyl-5-[(2-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-cyclopentyl-5-[(2-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-cyclopentyl-5-[(2-methylbenzyl)thio]-1,2,4-triazole Formula: C18H23N3S MolecularWeight: 313.46032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2CC=C)C3CCCC3

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2CC=C)C3CCCC3

InChI

InChI=1S/C18H23N3S/c1-3-12-21-17(15-9-6-7-10-15)19-20-18(21)22-13-16-11-5-4-8-14(16)2/h3-5,8,11,15H,1,6-7,9-10,12-13H2,2H3