N-[4-(5-aminocarbonyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[4-(5-aminocarbonyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)thiazol-2-yl]triazole-4-carboxamide CAS Name: N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-2-thiazolyl]-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 1-benzyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]triazole-4-carboxamide Traditional Name: 1-benzyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)thiazol-2-yl]triazole-4-carboxamide Formula: C18H15N7O2S MolecularWeight: 393.4224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(N=N2)C(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(N=N2)C(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)N

InChI

InChI=1S/C18H15N7O2S/c19-16(26)13-6-12(7-20-13)15-10-28-18(21-15)22-17(27)14-9-25(24-23-14)8-11-4-2-1-3-5-11/h1-7,9-10,20H,8H2,(H2,19,26)(H,21,22,27)