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

Systemtic Name: 4-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCCCC#N)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCCCC#N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H20N4OS/c1-12(2)20-15(13-6-8-14(21-3)9-7-13)18-19-16(20)22-11-5-4-10-17/h6-9,12H,4-5,11H2,1-3H3