3-[(4-nitrophenyl)methylsulfanyl]-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-(3-isopropoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-nitrophenyl)methylthio]-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(3-isopropoxyphenyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O3S/c1-12(2)26-16-5-3-4-14(10-16)17-20-21-18(22(17)19)27-11-13-6-8-15(9-7-13)23(24)25/h3-10,12H,11,19H2,1-2H3