N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonyl-5-(3-pyridyl)-1,2,4-triazol-3-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonyl-5-(3-pyridinyl)-1,2,4-triazol-3-amine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine Traditional Name: [2-mesyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]-veratryl-amine Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NN2S(=O)(=O)C)C3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NN2S(=O)(=O)C)C3=CN=CC=C3)OC

InChI

InChI=1S/C17H19N5O4S/c1-25-14-7-6-12(9-15(14)26-2)10-19-17-20-16(13-5-4-8-18-11-13)21-22(17)27(3,23)24/h4-9,11H,10H2,1-3H3,(H,19,20,21)