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

Systemtic Name: 3-cyclopropyl-5-[(2-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-cyclopropyl-5-(o-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-cyclopropyl-5-[(2-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-cyclopropyl-5-[(2-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-cyclopropyl-5-[(2-methylbenzyl)thio]-1,2,4-triazole Formula: C16H19N3S MolecularWeight: 285.40716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2CC=C)C3CC3

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2CC=C)C3CC3

InChI

InChI=1S/C16H19N3S/c1-3-10-19-15(13-8-9-13)17-18-16(19)20-11-14-7-5-4-6-12(14)2/h3-7,13H,1,8-11H2,2H3