N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-1H-1,2,4-triazole-5-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-1H-1,2,4-triazole-5-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-1H-1,2,4-triazole-5-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-1,2,4-triazole-5-carboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-1,2,4-triazole-5-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-1H-1,2,4-triazole-5-carboxamide Formula: C17H13N5OS MolecularWeight: 335.38302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=NC=NN2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=NC=NN2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H13N5OS/c1-10-11(17-21-13-6-2-3-8-14(13)24-17)5-4-7-12(10)20-16(23)15-18-9-19-22-15/h2-9H,1H3,(H,20,23)(H,18,19,22)