3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCCC#N)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCCC#N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C15H18N4OS/c1-11(2)19-14(12-5-7-13(20-3)8-6-12)17-18-15(19)21-10-4-9-16/h5-8,11H,4,10H2,1-3H3