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

Systemtic Name: 1-[5-[(3-methoxyphenyl)methylsulfonyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[4-benzyl-5-[(3-methoxyphenyl)methylsulfonyl]-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[5-[(3-methoxyphenyl)methylsulfonyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[4-benzyl-5-[(3-methoxyphenyl)methylsulfonyl]-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-(4-benzyl-5-m-anisylsulfonyl-1,2,4-triazol-3-yl)butylamine Formula: C21H26N4O3S MolecularWeight: 414.52114

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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)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-3-8-19(22)20-23-24-21(25(20)14-16-9-5-4-6-10-16)29(26,27)15-17-11-7-12-18(13-17)28-2/h4-7,9-13,19H,3,8,14-15,22H2,1-2H3