2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C18H18N4S2 MolecularWeight: 354.49232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1CCC2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

CC(C#N)SC1=NN=C(N1CCC2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C18H18N4S2/c1-14(13-19)24-18-21-20-17(12-16-8-5-11-23-16)22(18)10-9-15-6-3-2-4-7-15/h2-8,11,14H,9-10,12H2,1H3