[3-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-yl]-(4-nitrophenyl)methanone

Systemtic Name: [3-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-yl]-(4-nitrophenyl)methanone Openeye Name: [3-(1-naphthylmethylsulfanyl)-1,2,4-triazol-4-yl]-(4-nitrophenyl)methanone CAS Name: [3-(1-naphthalenylmethylthio)-1,2,4-triazol-4-yl]-(4-nitrophenyl)methanone IUPAC Name: [3-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-yl]-(4-nitrophenyl)methanone Traditional Name: [3-(1-naphthylmethylthio)-1,2,4-triazol-4-yl]-(4-nitrophenyl)methanone Formula: C20H14N4O3S MolecularWeight: 390.41516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NN=CN3C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NN=CN3C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O3S/c25-19(15-8-10-17(11-9-15)24(26)27)23-13-21-22-20(23)28-12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,13H,12H2