3-(1,3-benzothiazol-2-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(pyrazol-1-ylmethyl)benzyl]pyrazinamide Formula: C23H18N6OS MolecularWeight: 426.49362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=NC=CN=C3C(=O)NCC4=CC=C(C=C4)CN5C=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=NC=CN=C3C(=O)NCC4=CC=C(C=C4)CN5C=CC=N5

InChI

InChI=1S/C23H18N6OS/c30-22(26-14-16-6-8-17(9-7-16)15-29-13-3-10-27-29)20-21(25-12-11-24-20)23-28-18-4-1-2-5-19(18)31-23/h1-13H,14-15H2,(H,26,30)