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

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-1H-1,2,4-triazole-5-carboxamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-1H-1,2,4-triazole-5-carboxamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-1,2,4-triazole-5-carboxamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-1,2,4-triazole-5-carboxamide Traditional Name: N-[5-(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=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=NC=NN4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=NC=NN4

InChI

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