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

Systemtic Name: 4-[[4-azanyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-amino-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-amino-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C19H19N5OS MolecularWeight: 365.45206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H19N5OS/c1-13(2)25-17-5-3-4-16(10-17)18-22-23-19(24(18)21)26-12-15-8-6-14(11-20)7-9-15/h3-10,13H,12,21H2,1-2H3