3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-chloranyl-1-benzothiophen-2-yl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-chloranyl-1-benzothiophen-2-yl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-chlorobenzothiophen-2-yl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(3-chloro-1-benzothiophen-2-yl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-chloro-1-benzothiophen-2-yl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butylbenzyl)thio]-5-(3-chlorobenzothiophen-2-yl)-1,2,4-triazol-4-yl]amine Formula: C21H21ClN4S2 MolecularWeight: 429.00124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H21ClN4S2/c1-21(2,3)14-10-8-13(9-11-14)12-27-20-25-24-19(26(20)23)18-17(22)15-6-4-5-7-16(15)28-18/h4-11H,12,23H2,1-3H3