3-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(1-adamantyl)-4-allyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-(1-adamantyl)-4-allyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C23H26N4S MolecularWeight: 390.54434

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H26N4S/c1-2-6-27-21(23-11-18-8-19(12-23)10-20(9-18)13-23)25-26-22(27)28-15-17-5-3-4-16(7-17)14-24/h2-5,7,18-20H,1,6,8-13,15H2