N-(4-nitrophenyl)-2-[[5-(phenylmethyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-nitrophenyl)-2-[[5-(phenylmethyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: N-(4-nitrophenyl)-2-[[5-(phenylmethyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)acetamide Formula: C21H18N6O3S MolecularWeight: 434.47102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2N3C=CC=C3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2N3C=CC=C3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O3S/c28-20(22-17-8-10-18(11-9-17)27(29)30)15-31-21-24-23-19(14-16-6-2-1-3-7-16)26(21)25-12-4-5-13-25/h1-13H,14-15H2,(H,22,28)