N-cyclopropyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-cyclopropyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyrimidin-4-amine Openeye Name: N-cyclopropyl-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyrimidin-4-amine CAS Name: N-cyclopropyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-cyclopropyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyrimidin-4-amine Traditional Name: cyclopropyl-[2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-5-nitro-pyrimidin-4-yl]amine Formula: C18H19N7O2S MolecularWeight: 397.45416

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-])C4=CC=CC=C4C

Isomeric SMILES

CCN1C(=NN=C1SC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-])C4=CC=CC=C4C

InChI

InChI=1S/C18H19N7O2S/c1-3-24-16(13-7-5-4-6-11(13)2)22-23-18(24)28-17-19-10-14(25(26)27)15(21-17)20-12-8-9-12/h4-7,10,12H,3,8-9H2,1-2H3,(H,19,20,21)