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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)C3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)C3CCCC3

InChI

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