N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-methyl-5-[1-(phenylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine

Systemtic Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-methyl-5-[1-(phenylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine Openeye Name: 5-(1-benzylpyrazol-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-methyl-thiazol-2-amine CAS Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-methyl-5-[1-(phenylmethyl)-3-pyrazolyl]-2-thiazolamine IUPAC Name: 5-(1-benzylpyrazol-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-methyl-1,3-thiazol-2-amine Traditional Name: [5-(1-benzylpyrazol-3-yl)-4-methyl-thiazol-2-yl]-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amine Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NCC2=CC3=C(C(=C2)OC)OCO3)C4=NN(C=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC(=N1)NCC2=CC3=C(C(=C2)OC)OCO3)C4=NN(C=C4)CC5=CC=CC=C5

InChI

InChI=1S/C23H22N4O3S/c1-15-22(18-8-9-27(26-18)13-16-6-4-3-5-7-16)31-23(25-15)24-12-17-10-19(28-2)21-20(11-17)29-14-30-21/h3-11H,12-14H2,1-2H3,(H,24,25)