N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-methylsulfanyl-2-nitro-benzamide

Systemtic Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-methylsulfanyl-2-nitro-benzamide Openeye Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-methylsulfanyl-2-nitro-benzamide CAS Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-(methylthio)-2-nitrobenzamide IUPAC Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-methylsulfanyl-2-nitrobenzamide Traditional Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-(methylthio)-2-nitro-benzamide Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NCC2=NN=C3N2CCC3

Isomeric SMILES

CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NCC2=NN=C3N2CCC3

InChI

InChI=1S/C14H15N5O3S/c1-23-9-4-5-11(19(21)22)10(7-9)14(20)15-8-13-17-16-12-3-2-6-18(12)13/h4-5,7H,2-3,6,8H2,1H3,(H,15,20)