3-cyclopropyl-4-methyl-5-[(4-propan-2-ylphenyl)methylsulfonyl]-1,2,4-triazole

Systemtic Name: 3-cyclopropyl-4-methyl-5-[(4-propan-2-ylphenyl)methylsulfonyl]-1,2,4-triazole Openeye Name: 3-cyclopropyl-5-[(4-isopropylphenyl)methylsulfonyl]-4-methyl-1,2,4-triazole CAS Name: 3-cyclopropyl-4-methyl-5-[(4-propan-2-ylphenyl)methylsulfonyl]-1,2,4-triazole IUPAC Name: 3-cyclopropyl-4-methyl-5-[(4-propan-2-ylphenyl)methylsulfonyl]-1,2,4-triazole Traditional Name: 3-cyclopropyl-5-(4-isopropylbenzyl)sulfonyl-4-methyl-1,2,4-triazole Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CS(=O)(=O)C2=NN=C(N2C)C3CC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CS(=O)(=O)C2=NN=C(N2C)C3CC3

InChI

InChI=1S/C16H21N3O2S/c1-11(2)13-6-4-12(5-7-13)10-22(20,21)16-18-17-15(19(16)3)14-8-9-14/h4-7,11,14H,8-10H2,1-3H3