[3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-phenyl-methanone

Systemtic Name: [3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-phenyl-methanone Openeye Name: [3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-phenyl-methanone CAS Name: [3-[(4-nitrophenyl)methylthio]-1,2,4-triazol-4-yl]-phenylmethanone IUPAC Name: [3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-phenylmethanone Traditional Name: [3-[(4-nitrobenzyl)thio]-1,2,4-triazol-4-yl]-phenyl-methanone Formula: C16H12N4O3S MolecularWeight: 340.35648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O3S/c21-15(13-4-2-1-3-5-13)19-11-17-18-16(19)24-10-12-6-8-14(9-7-12)20(22)23/h1-9,11H,10H2