4-[(5-phenylmethoxy-1,3-benzothiazol-2-yl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(5-phenylmethoxy-1,3-benzothiazol-2-yl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(5-benzyloxy-1,3-benzothiazol-2-yl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[(5-phenylmethoxy-1,3-benzothiazol-2-yl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[(5-phenylmethoxy-1,3-benzothiazol-2-yl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[(5-benzoxy-1,3-benzothiazol-2-yl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C24H18N6OS MolecularWeight: 438.50432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)SC(=N3)CN(C4=CC=C(C=C4)C#N)N5C=NN=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)SC(=N3)CN(C4=CC=C(C=C4)C#N)N5C=NN=C5

InChI

InChI=1S/C24H18N6OS/c25-13-18-6-8-20(9-7-18)30(29-16-26-27-17-29)14-24-28-22-12-21(10-11-23(22)32-24)31-15-19-4-2-1-3-5-19/h1-12,16-17H,14-15H2