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

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

C1=CC=C(C=C1)CCN2C(=NN=C2SCCC#N)CC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCCC#N)CC3=CC=CS3

InChI

InChI=1S/C18H18N4S2/c19-10-5-13-24-18-21-20-17(14-16-8-4-12-23-16)22(18)11-9-15-6-2-1-3-7-15/h1-4,6-8,12H,5,9,11,13-14H2