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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2CC=C)N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2CC=C)N)C)C(C)(C)C

InChI

InChI=1S/C18H26N4S/c1-7-8-22-16(19)20-21-17(22)23-11-15-12(2)9-14(10-13(15)3)18(4,5)6/h7,9-10H,1,8,11H2,2-6H3,(H2,19,20)