N-(6-phenoxy-1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-(6-phenoxy-1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-(6-phenoxy-1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-(6-phenoxy-1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-(6-phenoxy-1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-(6-phenoxy-1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C23H17N5O2S MolecularWeight: 427.47838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=C(C=C4)CN5C=NC=N5

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=C(C=C4)CN5C=NC=N5

InChI

InChI=1S/C23H17N5O2S/c29-22(17-8-6-16(7-9-17)13-28-15-24-14-25-28)27-23-26-20-11-10-19(12-21(20)31-23)30-18-4-2-1-3-5-18/h1-12,14-15H,13H2,(H,26,27,29)