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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O3S/c1-23-11-5-4-9(7-10(11)19(21)22)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)