2-(1H-1,2,4-triazol-5-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-(1H-1,2,4-triazol-5-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(1H-1,2,4-triazol-5-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-(1H-1,2,4-triazol-5-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(1H-1,2,4-triazol-5-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-mesityl-2-(1H-1,2,4-triazol-5-ylamino)-1,3-benzothiazole-6-carboxamide Formula: C19H18N6OS MolecularWeight: 378.45082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC4=NC=NN4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC4=NC=NN4)C

InChI

InChI=1S/C19H18N6OS/c1-10-6-11(2)16(12(3)7-10)23-17(26)13-4-5-14-15(8-13)27-19(22-14)24-18-20-9-21-25-18/h4-9H,1-3H3,(H,23,26)(H2,20,21,22,24,25)