3-[4-methyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-methyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-methyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-methyl-5-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-methyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-methyl-5-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazol-3-yl]pyridine Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C)C3=CN=CC=C3

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C)C3=CN=CC=C3

InChI

InChI=1S/C16H15N5O2S/c1-11(12-5-3-7-14(9-12)21(22)23)24-16-19-18-15(20(16)2)13-6-4-8-17-10-13/h3-11H,1-2H3