4-methyl-3-[1-(3-nitrophenyl)ethylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-[1-(3-nitrophenyl)ethylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 4-methyl-3-[1-(3-nitrophenyl)ethylsulfanyl]-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 4-methyl-3-[1-(3-nitrophenyl)ethylthio]-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-[1-(3-nitrophenyl)ethylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 4-methyl-3-[1-(3-nitrophenyl)ethylthio]-5-(2-thenyl)-1,2,4-triazole Formula: C16H16N4O2S2 MolecularWeight: 360.45384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C)CC3=CC=CS3

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C)CC3=CC=CS3

InChI

InChI=1S/C16H16N4O2S2/c1-11(12-5-3-6-13(9-12)20(21)22)24-16-18-17-15(19(16)2)10-14-7-4-8-23-14/h3-9,11H,10H2,1-2H3