[4-[(4-nitrophenyl)methyl]-5-propylsulfanyl-1,2,4-triazol-3-yl]methanol

Systemtic Name: [4-[(4-nitrophenyl)methyl]-5-propylsulfanyl-1,2,4-triazol-3-yl]methanol Openeye Name: [4-[(4-nitrophenyl)methyl]-5-propylsulfanyl-1,2,4-triazol-3-yl]methanol CAS Name: [4-[(4-nitrophenyl)methyl]-5-(propylthio)-1,2,4-triazol-3-yl]methanol IUPAC Name: [4-[(4-nitrophenyl)methyl]-5-propylsulfanyl-1,2,4-triazol-3-yl]methanol Traditional Name: [4-(4-nitrobenzyl)-5-(propylthio)-1,2,4-triazol-3-yl]methanol Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CO

Isomeric SMILES

CCCSC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CO

InChI

InChI=1S/C13H16N4O3S/c1-2-7-21-13-15-14-12(9-18)16(13)8-10-3-5-11(6-4-10)17(19)20/h3-6,18H,2,7-9H2,1H3