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

Systemtic Name: 1-[5-[(3-methylphenyl)methylsulfonyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[4-benzyl-5-(m-tolylmethylsulfonyl)-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[5-[(3-methylphenyl)methylsulfonyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[4-benzyl-5-[(3-methylphenyl)methylsulfonyl]-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[4-benzyl-5-(3-methylbenzyl)sulfonyl-1,2,4-triazol-3-yl]butylamine Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=C(N1CC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC(=C3)C)N

Isomeric SMILES

CCCC(C1=NN=C(N1CC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC(=C3)C)N

InChI

InChI=1S/C21H26N4O2S/c1-3-8-19(22)20-23-24-21(25(20)14-17-10-5-4-6-11-17)28(26,27)15-18-12-7-9-16(2)13-18/h4-7,9-13,19H,3,8,14-15,22H2,1-2H3