3-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-cyclopropyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-cyclopropyl-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-cyclopropyl-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CO3)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CO3)SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C18H16N4OS/c19-10-13-3-1-4-14(9-13)12-24-18-21-20-17(15-6-7-15)22(18)11-16-5-2-8-23-16/h1-5,8-9,15H,6-7,11-12H2