1-[5-[(3-methylphenyl)methylsulfonyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-1-amine

Systemtic Name: 1-[5-[(3-methylphenyl)methylsulfonyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[4-isobutyl-5-(m-tolylmethylsulfonyl)-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[5-[(3-methylphenyl)methylsulfonyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[5-[(3-methylphenyl)methylsulfonyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[4-isobutyl-5-(3-methylbenzyl)sulfonyl-1,2,4-triazol-3-yl]butylamine Formula: C18H28N4O2S MolecularWeight: 364.50552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=C(N1CC(C)C)S(=O)(=O)CC2=CC=CC(=C2)C)N

Isomeric SMILES

CCCC(C1=NN=C(N1CC(C)C)S(=O)(=O)CC2=CC=CC(=C2)C)N

InChI

InChI=1S/C18H28N4O2S/c1-5-7-16(19)17-20-21-18(22(17)11-13(2)3)25(23,24)12-15-9-6-8-14(4)10-15/h6,8-10,13,16H,5,7,11-12,19H2,1-4H3