N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-5-methyl-2-phenyl-triazole-4-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-5-methyl-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-5-methyl-2-phenyltriazole-4-carboxamide Traditional Name: 5-methyl-N-(4-methyl-5-piperonyl-thiazol-2-yl)-2-phenyl-triazole-4-carboxamide Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=NN(N=C2C)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=NN(N=C2C)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H19N5O3S/c1-13-19(11-15-8-9-17-18(10-15)30-12-29-17)31-22(23-13)24-21(28)20-14(2)25-27(26-20)16-6-4-3-5-7-16/h3-10H,11-12H2,1-2H3,(H,23,24,28)