N-(6-acetamido-1,3-benzothiazol-2-yl)-1-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-phenyl-triazole-4-carboxamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-phenyl-4-triazolecarboxamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-phenyltriazole-4-carboxamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-phenyl-triazole-4-carboxamide Formula: C18H14N6O2S MolecularWeight: 378.40776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(N=N3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H14N6O2S/c1-11(25)19-12-7-8-14-16(9-12)27-18(20-14)21-17(26)15-10-24(23-22-15)13-5-3-2-4-6-13/h2-10H,1H3,(H,19,25)(H,20,21,26)