N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanamide

Systemtic Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanamide Openeye Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-acetamide CAS Name: N-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-2-[(3,4-dimethoxyphenyl)thio]acetamide IUPAC Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-(3,4-dimethoxyphenyl)sulfanylacetamide Traditional Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-[(3,4-dimethoxyphenyl)thio]acetamide Formula: C20H20N6O3S MolecularWeight: 424.4762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3)OC

InChI

InChI=1S/C20H20N6O3S/c1-28-18-8-7-15(9-19(18)29-2)30-12-20(27)22-14-10-21-25(11-14)13-26-17-6-4-3-5-16(17)23-24-26/h3-11H,12-13H2,1-2H3,(H,22,27)