2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine Openeye Name: 2-[[4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine CAS Name: 2-[[4-(2-furanylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-5-nitropyridine IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyridine Traditional Name: 2-[[4-(2-furfuryl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-5-nitro-pyridine Formula: C17H12N6O3S MolecularWeight: 380.38058

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=NN=C2SC3=NC=C(C=C3)[N+](=O)[O-])C4=CC=NC=C4

Isomeric SMILES

C1=COC(=C1)CN2C(=NN=C2SC3=NC=C(C=C3)[N+](=O)[O-])C4=CC=NC=C4

InChI

InChI=1S/C17H12N6O3S/c24-23(25)13-3-4-15(19-10-13)27-17-21-20-16(12-5-7-18-8-6-12)22(17)11-14-2-1-9-26-14/h1-10H,11H2