3-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H21N5S MolecularWeight: 363.47924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H21N5S/c1-20(2,3)17-9-7-16(8-10-17)18-23-24-19(25(18)22)26-13-15-6-4-5-14(11-15)12-21/h4-11H,13,22H2,1-3H3