N-(1,3-benzothiazol-2-yl)-5-methyl-N-(oxolan-2-ylmethyl)-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-5-methyl-N-(oxolan-2-ylmethyl)-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-5-methyl-2-phenyl-N-(tetrahydrofuran-2-ylmethyl)triazole-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-oxolanylmethyl)-2-phenyl-4-triazolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-5-methyl-N-(oxolan-2-ylmethyl)-2-phenyltriazole-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-5-methyl-2-phenyl-N-(tetrahydrofurfuryl)triazole-4-carboxamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)N(CC2CCCO2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(N=C1C(=O)N(CC2CCCO2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C22H21N5O2S/c1-15-20(25-27(24-15)16-8-3-2-4-9-16)21(28)26(14-17-10-7-13-29-17)22-23-18-11-5-6-12-19(18)30-22/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3