N-(1,3-benzothiazol-2-ylmethyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-benzyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-1-benzyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C23H18N4OS2 MolecularWeight: 430.54522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C(=O)NCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C(=O)NCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H18N4OS2/c28-23(24-13-21-25-18-9-4-5-10-19(18)30-21)17-15-27(14-16-7-2-1-3-8-16)26-22(17)20-11-6-12-29-20/h1-12,15H,13-14H2,(H,24,28)