(2R)-2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: (2R)-2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: (2R)-2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: (2R)-2-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: (2R)-2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: (2R)-2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C16H15N5S MolecularWeight: 309.3888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1N)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

C[C@H](C#N)SC1=NN=C(N1N)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C16H15N5S/c1-11(10-17)22-16-20-19-15(21(16)18)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,11H,9,18H2,1H3/t11-/m1/s1