4,6-bis[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyrimidine

Systemtic Name: 4,6-bis[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyrimidine Openeye Name: 4,6-bis[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyrimidine CAS Name: 4,6-bis[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-5-nitropyrimidine IUPAC Name: 4,6-bis[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyrimidine Traditional Name: 4,6-bis[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-5-nitro-pyrimidine Formula: C30H33N9O2S2 MolecularWeight: 615.77212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SC3=C(C(=NC=N3)SC4=NN=C(N4C)C5=CC=C(C=C5)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SC3=C(C(=NC=N3)SC4=NN=C(N4C)C5=CC=C(C=C5)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C30H33N9O2S2/c1-29(2,3)20-13-9-18(10-14-20)23-33-35-27(37(23)7)42-25-22(39(40)41)26(32-17-31-25)43-28-36-34-24(38(28)8)19-11-15-21(16-12-19)30(4,5)6/h9-17H,1-8H3