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

Systemtic Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine Openeye Name: 2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine CAS Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-3-nitropyridine IUPAC Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyridine Traditional Name: 2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-3-nitro-pyridine Formula: C15H13N5O2S2 MolecularWeight: 359.42602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SC3=C(C=CC=N3)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2SC3=C(C=CC=N3)[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C15H13N5O2S2/c21-20(22)12-4-1-7-16-14(12)24-15-18-17-13(19(15)10-5-6-10)9-11-3-2-8-23-11/h1-4,7-8,10H,5-6,9H2