N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-5-(1-phenylpyrazol-3-yl)-1,3-thiazol-2-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-5-(1-phenylpyrazol-3-yl)-1,3-thiazol-2-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-5-(1-phenylpyrazol-3-yl)thiazol-2-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-5-(1-phenyl-3-pyrazolyl)-2-thiazolamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-5-(1-phenylpyrazol-3-yl)-1,3-thiazol-2-amine Traditional Name: [4-methyl-5-(1-phenylpyrazol-3-yl)thiazol-2-yl]-piperonyl-amine Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NCC2=CC3=C(C=C2)OCO3)C4=NN(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(SC(=N1)NCC2=CC3=C(C=C2)OCO3)C4=NN(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C21H18N4O2S/c1-14-20(17-9-10-25(24-17)16-5-3-2-4-6-16)28-21(23-14)22-12-15-7-8-18-19(11-15)27-13-26-18/h2-11H,12-13H2,1H3,(H,22,23)