4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC3(CCC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC3(CCC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3S/c1-25-14-23-24-20(25)30-18-9-8-15(12-17(18)26(28)29)19(27)22-13-21(10-5-11-21)16-6-3-2-4-7-16/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,22,27)