2-methyl-4-[3-[3-nitro-4-(phenylsulfanylmethoxy)phenyl]-1H-1,2,4-triazol-5-yl]pyridine

Systemtic Name: 2-methyl-4-[3-[3-nitro-4-(phenylsulfanylmethoxy)phenyl]-1H-1,2,4-triazol-5-yl]pyridine Openeye Name: 2-methyl-4-[3-[3-nitro-4-(phenylsulfanylmethoxy)phenyl]-1H-1,2,4-triazol-5-yl]pyridine CAS Name: 2-methyl-4-[3-[3-nitro-4-[(phenylthio)methoxy]phenyl]-1H-1,2,4-triazol-5-yl]pyridine IUPAC Name: 2-methyl-4-[3-[3-nitro-4-(phenylsulfanylmethoxy)phenyl]-1H-1,2,4-triazol-5-yl]pyridine Traditional Name: 2-methyl-4-[3-[3-nitro-4-[(phenylthio)methoxy]phenyl]-1H-1,2,4-triazol-5-yl]pyridine Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)OCSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)OCSC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O3S/c1-14-11-16(9-10-22-14)21-23-20(24-25-21)15-7-8-19(18(12-15)26(27)28)29-13-30-17-5-3-2-4-6-17/h2-12H,13H2,1H3,(H,23,24,25)