2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazine

Systemtic Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(2-furylmethyl)-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[5-[(4-tert-butylphenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[5-[(4-tert-butylbenzyl)thio]-4-(2-furfuryl)-1,2,4-triazol-3-yl]pyrazine Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=NC=CN=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=NC=CN=C4

InChI

InChI=1S/C22H23N5OS/c1-22(2,3)17-8-6-16(7-9-17)15-29-21-26-25-20(19-13-23-10-11-24-19)27(21)14-18-5-4-12-28-18/h4-13H,14-15H2,1-3H3