3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-cyclopropyl-1,2,4-triazol-4-yl]amine Formula: C18H26N4S MolecularWeight: 330.49084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2N)C3CC3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2N)C3CC3)C)C(C)(C)C

InChI

InChI=1S/C18H26N4S/c1-11-8-14(18(3,4)5)9-12(2)15(11)10-23-17-21-20-16(22(17)19)13-6-7-13/h8-9,13H,6-7,10,19H2,1-5H3